data_1fi5_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 1fi5 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.45 -28.36 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.8 p -57.19 -29.99 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.62 -37.1 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.99 -32.1 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.7 t80 -66.95 -45.74 76.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -59.47 -31.01 68.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -45.5 92.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -69.01 -40.73 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.15 155.74 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -56.18 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -95.66 -7.54 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.365 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.78 64.02 0.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -103.41 -27.12 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 -14.34 7.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.774 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.9 158.87 38.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.7 mt -129.69 143.39 41.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 172.66 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.18 -38.04 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -48.45 70.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.28 -45.49 80.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 104' ' ' PHE . 7.9 tp -63.89 -30.45 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -64.71 -28.46 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.7 mt -70.79 -56.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -28.91 68.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.21 -31.12 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.31 -31.02 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.35 -31.37 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.6 p -60.37 159.27 10.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.99 -49.94 20.22 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.94 152.51 23.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -96.28 94.55 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -80.6 148.78 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 p -104.24 163.48 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -30.97 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -36.23 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -30.51 71.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.1 mt -72.56 -30.64 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -58.03 -31.24 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.23 -34.16 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.21 -37.41 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -80.29 -30.59 38.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.48 -50.95 71.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -84.77 -19.87 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.64 -28.29 51.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.18 125.6 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.19 -23.36 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -91.7 8.79 35.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.454 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 42.97 37.71 1.2 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.9 0.381 . . . . 0.0 111.559 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.63 -27.55 15.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.03 -20.87 9.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.568 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -128.06 169.49 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -117.91 141.36 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -134.38 -171.08 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -55.02 -49.44 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.184 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.91 -45.09 87.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -47.12 87.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.6 -31.2 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -35.47 24.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -73.39 -42.48 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -32.21 65.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 16.0 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.769 0.319 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.96 -30.07 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 p -59.67 -35.23 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.86 -34.93 75.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.92 -31.05 40.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.1 -39.5 94.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -60.32 -31.68 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mmm -60.39 -36.86 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.416 ' CE2' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -74.71 -45.3 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 141.89 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -78.87 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -108.25 18.38 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 51.29 63.51 2.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 111.264 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -95.07 -27.5 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.54 -16.4 8.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.647 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 149' ' ' ASP . 89.2 m-85 -131.72 162.9 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.5 mt -129.71 135.77 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -132.97 178.59 6.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -33.25 70.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.01 -47.34 52.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.73 -32.86 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 104' ' ' PHE . 6.4 tp -78.11 -30.73 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -62.73 -28.86 70.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.59 -54.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ptm -59.0 -29.14 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.2 mt -72.46 -28.63 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.6 -30.1 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.06 -47.84 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.7 p -59.89 158.62 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.44 29.13 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -99.7 151.25 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.9 p -93.23 85.36 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.81 130.9 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.42 161.33 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -29.49 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.82 -37.72 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.87 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.9 -30.84 48.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.1 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -82.38 -32.04 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -27.43 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.5 mtp -88.29 -24.26 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -55.58 -43.2 75.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 26.4 p-10 -70.31 -19.6 63.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 156' ' ' PHE . . . -97.96 -25.54 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.557 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -88.21 122.65 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.77 -22.42 10.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -85.83 -11.88 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.179 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 63.64 31.44 14.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.86 -28.2 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.6 -22.24 8.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.57 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.31 175.61 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.5 mt -118.25 142.12 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p30 -134.44 169.07 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 88.5 t80 -58.0 -25.2 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.3 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -58.69 4.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.99 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -75.9 -33.21 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.049 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 157' ' ' MET . 38.5 t80 -59.58 -28.29 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.456 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 3.2 mp -66.53 -43.44 85.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -72.65 -36.71 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CD2' ' HA2' ' A' ' 140' ' ' GLY . 15.5 t80 -67.17 -33.9 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 153' ' ' PHE . 1.6 mmt -74.32 -35.15 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.711 0.291 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.05 -30.27 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' A' ' 150' ' ' TYR . 14.8 p -70.72 -32.14 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.59 -46.42 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.01 -29.67 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.26 -36.68 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -38.55 89.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.04 -37.68 88.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -38.57 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -78.82 146.27 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -111.12 -35.38 5.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.85 -23.76 33.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.91 39.81 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 111.05 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -100.35 -23.97 14.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 119.02 24.47 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.695 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.0 m-85 -157.58 155.86 30.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 mt -129.55 135.15 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -132.96 -176.95 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -47.35 86.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.347 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.34 -46.77 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.122 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -44.89 70.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.52 -33.13 73.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.9 mt -74.68 -31.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 ttp -68.8 -44.41 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.0 mt -75.69 -29.39 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.65 -27.91 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.13 90.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.1 p -58.93 174.29 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.36 34.78 5.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -106.61 171.11 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.3 p -106.07 48.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mp -67.69 150.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.6 p -111.86 169.63 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -31.1 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.66 -37.05 85.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.07 -42.58 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.1 mt -62.49 -30.34 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.58 -35.18 78.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.0 -33.88 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.15 -35.57 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -33.57 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.5 -52.82 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -83.09 -24.84 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.02 -29.51 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.25 114.16 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -106.39 2.05 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.436 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.34 -19.29 13.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.51 35.63 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -96.4 -24.43 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.1 -23.77 7.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.619 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -128.33 177.98 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.06 140.42 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -134.35 161.5 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.425 ' CE1' ' CB ' ' A' ' 98' ' ' SER . 67.0 t80 -52.57 -27.38 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -56.51 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 0.0 111.033 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -24.49 40.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -56.65 -43.93 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -29.48 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.94 -27.58 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.49 -24.28 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.09 18.12 19.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.224 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.278 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.76 -31.21 70.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -68.23 -39.6 82.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.32 -36.68 78.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.54 -31.08 68.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -69.4 -32.9 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -70.15 -32.37 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -31.02 62.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.36 -41.79 27.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.54 123.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -53.3 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -76.12 -25.87 55.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.01 39.99 5.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.892 0.377 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -93.39 -21.26 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 0.45 8.16 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -144.67 158.05 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.1 mt -129.79 146.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -133.09 177.32 7.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.64 -29.89 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -51.61 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.59 -24.26 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.3 -32.89 43.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.246 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -72.32 -29.1 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -71.96 -48.37 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 ptm -62.72 -29.42 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.0 tp -71.91 -27.28 62.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -56.0 -28.57 57.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.08 -28.8 64.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.9 p -58.64 166.78 1.7 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.02 -28.24 29.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -87.55 156.09 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.1 p -87.47 124.63 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.2 mm -112.31 138.34 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 75.9 p -95.72 159.27 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -59.17 -30.76 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.25 -32.52 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -30.3 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 18.6 mt -74.69 -23.05 17.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.32 -41.96 69.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.001 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.51 -28.94 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -40.38 84.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -83.02 -29.6 28.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -58.88 -53.46 58.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -75.5 -24.05 56.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.98 -27.68 52.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.04 116.18 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -109.26 -24.77 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.49 -21.13 32.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 67.31 52.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -107.99 -23.64 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -26.63 6.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -132.5 175.38 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.5 mt -118.06 141.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -134.31 -178.47 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.85 -42.11 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -43.05 98.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.17 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD2' ' HE2' ' A' ' 157' ' ' MET . 1.8 t80 -59.62 -34.81 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -36.17 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.49 -48.58 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.24 -35.97 74.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.422 ' HE2' ' CD2' ' A' ' 153' ' ' PHE . 1.5 mpp? -84.17 -12.55 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.53 -30.84 63.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.9 p -60.96 -39.67 90.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.26 -38.72 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.58 -36.87 85.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 112' ' ' ILE . 55.2 t80 -71.92 -32.43 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -61.41 -52.62 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.022 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.8 ptp -55.86 -44.32 77.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.91 -37.8 74.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.01 156.15 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.89 -56.12 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.49 -6.36 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.18 59.71 1.26 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -97.6 -24.16 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 -19.75 6.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.84 155.65 45.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.406 HD11 ' CE2' ' A' ' 101' ' ' PHE . 13.1 mt -129.76 141.15 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -132.96 -177.72 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.09 -43.2 86.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.94 -54.17 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -33.52 72.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.57 -29.28 41.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.5 mt -72.29 -53.26 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ptm -58.72 -30.02 67.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -32.64 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.0 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.3 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.7 p -60.35 178.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.66 -31.2 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.47 131.31 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -79.15 91.43 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.76 155.72 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 29.2 p -104.91 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.93 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -47.52 74.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.81 -35.98 79.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 13.7 mt -73.8 -29.82 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.88 -25.9 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -57.31 -47.46 81.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.04 -31.02 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.69 -58.06 8.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -80.15 -18.1 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.09 -27.18 62.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -96.66 131.68 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -113.42 -28.96 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -90.62 -2.91 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -77.59 -29.13 51.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.89 -26.42 7.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -128.24 178.64 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.08 149.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.078 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.48 -172.78 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -64.18 -46.5 83.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -47.66 83.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.91 -45.53 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -31.71 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.58 -36.34 17.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.97 -30.08 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -46.95 9.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.99 -30.61 63.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -59.69 -39.38 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.06 -32.82 30.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.95 -30.68 64.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.06 -32.48 73.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -33.53 75.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.9 mtt -59.99 -41.08 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.13 -39.33 93.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.43 134.82 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -88.94 -58.55 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -85.44 -15.02 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.267 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.73 75.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.882 0.372 . . . . 0.0 111.013 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.78 -21.62 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -25.69 5.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -129.82 168.07 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.9 mt -129.7 143.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -133.02 175.83 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.67 -37.83 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.14 -55.3 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -42.52 99.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.03 -31.34 71.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -64.49 -27.72 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mt -71.71 -51.69 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 ptm -62.73 -29.2 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.46 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -60.0 -31.4 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.3 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -60.98 143.11 55.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.47 -34.19 73.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.28 143.13 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 p -85.4 111.66 20.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mm -110.81 138.65 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.25 173.61 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.7 -31.46 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -37.36 72.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.41 -32.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.35 -31.87 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttm -87.71 -32.55 19.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.37 -43.89 96.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -84.92 -18.66 33.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.387 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.78 -27.58 50.03 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -89.31 138.87 31.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -110.44 -41.61 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -88.28 -14.55 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 66.81 71.87 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.07 -23.54 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.99 -26.91 6.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -131.24 174.36 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.2 mt -118.52 148.13 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -134.38 -178.07 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.94 -45.57 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.73 -47.54 85.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.09 -45.6 73.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.4 -33.25 73.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.16 -47.53 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.9 -37.31 78.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.26 -45.41 88.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -31.47 62.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.792 0.33 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.23 -27.78 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -30.81 65.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -38.34 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.8 mm? -58.88 -37.43 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 112' ' ' ILE . 84.2 t80 -68.85 -42.31 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -59.29 -30.23 68.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -39.32 93.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.82 -43.38 36.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.64 115.19 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -67.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.31 -20.81 56.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.82 72.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.224 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.4 -16.76 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.04 -24.27 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.87 171.79 12.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.412 HD13 ' CE1' ' A' ' 101' ' ' PHE . 35.2 mt -129.77 138.74 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.04 171.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -44.28 92.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -71.55 -36.51 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.8 tp -68.56 -30.72 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -67.18 -26.95 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.2 mt -70.19 -46.13 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -64.86 -27.82 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.75 -31.34 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.04 83.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.9 p -60.32 147.5 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.58 28.5 13.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.76 173.7 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.3 p -102.81 77.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mt -110.33 149.34 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 52.0 p -109.03 -174.04 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -31.47 59.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -31.19 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -36.43 79.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.9 mt -63.6 -30.35 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.95 -30.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.49 -33.24 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -32.57 72.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -31.08 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -50.62 72.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -84.74 -22.38 29.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.83 -27.34 58.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 126.67 38.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -109.99 -29.73 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.988 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.58 -20.46 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 67.58 36.77 3.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -89.31 -20.78 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.29 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -130.76 171.04 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -118.09 140.37 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -134.26 -172.27 2.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.425 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 13.6 t80 -57.09 -50.94 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.22 -38.76 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.239 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -80.06 -36.14 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.069 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.42 -36.71 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -58.51 -35.29 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.78 -36.11 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -59.26 -30.0 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.16 24.15 10.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.0 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.393 -179.854 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.779 0.324 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.45 -28.96 63.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -58.06 -30.3 66.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -41.76 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.51 -45.13 63.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 65.4 t80 -59.98 -42.95 95.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -32.56 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.65 -42.6 81.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.12 -34.59 77.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 149.25 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.62 -57.69 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -103.1 8.73 38.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 65.33 1.53 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.29 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -103.87 -25.71 12.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.33 6.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.624 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -129.7 153.25 48.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.41 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 1.9 mp -129.72 148.16 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.98 178.32 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.04 -44.72 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.2 -52.74 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.02 -45.79 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.34 -33.13 74.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.473 HD11 HG21 ' A' ' 119' ' ' ILE . 30.6 mt -69.67 -54.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -57.03 -27.3 61.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -30.72 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -62.9 -30.91 71.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.43 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.5 p -63.33 163.78 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.54 -36.32 8.07 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.52 153.52 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.6 p -89.78 110.82 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.6 mm -85.44 140.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.7 p -78.69 153.19 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.61 -31.13 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.18 -35.13 80.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.46 -33.3 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 22.3 mt -76.28 -30.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.4 -32.92 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.42 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.71 -30.67 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.48 -31.66 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -67.23 -60.61 2.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -68.72 -18.38 64.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.74 -26.95 33.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.577 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.92 112.58 24.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -113.31 -17.56 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -85.79 -13.21 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 64.54 31.16 12.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.955 0.407 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -90.61 -27.37 19.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.69 -23.95 8.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.551 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -128.33 -178.24 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.91 143.74 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -134.53 173.52 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.452 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 12.2 t80 -61.37 -25.69 67.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.26 -57.7 7.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.24 -35.35 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.61 -29.32 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 3.1 mp -66.45 -33.54 75.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -85.18 -39.84 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.09 -44.91 94.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.769 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -30.89 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 24.6 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.73 -29.11 58.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.6 p -58.71 -30.48 67.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.9 -30.09 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.69 -31.38 28.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 112' ' ' ILE . 48.4 t80 -68.08 -46.86 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -30.63 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 mtt -66.45 -44.21 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.36 -45.33 93.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.75 131.81 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -65.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -86.6 -10.55 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.27 74.9 0.39 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.987 0.422 . . . . 0.0 111.035 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.94 -21.86 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.24 -23.31 6.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 91.9 m-85 -129.88 162.97 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 101' ' ' PHE . 22.3 mt -129.65 145.16 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -137.43 -175.5 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.55 -38.39 80.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -67.2 -50.68 60.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.91 -34.49 78.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.1 tp -78.87 -29.9 44.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.29 -29.82 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.23 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -55.02 -31.63 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.18 57.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.86 84.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.2 p -59.84 179.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.62 -25.17 6.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.22 142.04 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -82.6 86.78 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.3 mt -98.79 133.94 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.63 178.88 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.04 -31.58 66.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.31 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.71 -28.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.18 -51.63 59.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -29.3 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.061 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -34.66 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.0 ttm -85.0 -17.94 36.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -62.61 1.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.23 -21.25 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.93 -27.03 42.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -96.5 133.88 40.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 111.019 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -134.38 25.21 3.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.64 -5.45 9.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.419 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.83 29.58 19.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.851 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -105.43 -18.15 14.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.25 26.64 17.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -156.51 166.65 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.1 mt -120.13 143.98 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.8 p30 -134.45 -175.88 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.25 -43.41 92.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -42.81 99.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.59 -36.38 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.53 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.2 -53.94 48.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.15 -42.33 94.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.31 -44.03 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 79.3 mttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.675 0.274 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -48.98 -28.1 3.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.42 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -59.66 -32.23 70.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.63 -33.75 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.27 -29.73 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 112' ' ' ILE . 58.7 t80 -68.68 -27.41 65.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.05 -54.24 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.097 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.0 ptm -55.36 -43.02 74.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.14 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.74 -30.87 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.41 151.4 30.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.59 -53.89 3.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -95.89 -8.04 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.3 52.04 2.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -91.27 -22.78 20.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.06 -20.2 6.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.9 m-85 -129.92 163.25 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.406 HD12 ' CE2' ' A' ' 101' ' ' PHE . 22.5 mt -129.68 145.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.11 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.92 -46.18 88.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.88 -53.48 53.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -31.15 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.3 tp -78.9 -30.37 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.89 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.83 -48.4 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.7 ptm -59.6 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.32 -29.98 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -57.92 -30.81 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.19 69.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.4 p -65.48 164.87 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.27 -44.35 8.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.56 152.63 43.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.731 0.301 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.6 p -97.33 102.87 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.6 mm -86.18 147.13 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.4 p -93.22 166.49 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.31 -31.34 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -36.56 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -39.58 79.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.2 mm -73.85 -29.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -31.01 68.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.97 -33.09 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -32.47 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -31.76 19.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -60.6 -48.55 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -84.14 -17.4 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.365 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.65 -27.02 52.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.52 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -89.75 126.58 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -112.95 -33.29 6.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -87.75 -11.4 48.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 66.11 60.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -109.8 -28.43 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.33 10.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.562 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -128.23 167.66 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 37.3 mt -118.28 146.37 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 5.6 p-10 -134.56 -173.77 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 18.3 t80 -57.87 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.17 -48.55 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -70.24 -40.16 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.09 -41.16 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -37.51 85.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.41 -37.34 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.46 -47.88 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -38.82 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.7 tttp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.806 0.336 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.35 -29.7 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 t -59.87 -30.28 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.3 -43.42 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.05 -33.94 72.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 112' ' ' ILE . 46.9 t80 -70.21 -40.68 74.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -58.94 -30.34 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.4 mtt -73.21 -31.52 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.03 -33.0 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.28 154.14 42.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -47.5 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -105.06 -4.49 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.86 68.29 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.87 -26.75 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.08 -20.84 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.67 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 11.4 m-85 -129.73 151.92 49.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 112' ' ' ILE . 31.9 mt -129.86 149.51 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -134.04 -179.14 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.84 -31.19 69.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.64 -56.6 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.22 -32.96 74.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.29 -28.7 63.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -27.02 67.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.4 mt -71.81 -33.75 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.217 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.56 -29.41 33.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.991 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.5 mt -75.81 -40.34 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.08 -46.31 89.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.66 72.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.2 p -75.82 148.36 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.53 32.54 6.41 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.29 172.35 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.5 p -102.99 72.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mt -112.23 121.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.43 166.54 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.17 -39.38 82.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.27 -31.01 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -30.08 71.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 133' ' ' ILE . 31.6 mt -69.24 -35.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.68 -35.37 79.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.82 -31.77 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.64 -50.01 75.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -27.14 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -56.68 -63.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -75.39 -19.0 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.265 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.86 -27.23 57.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.404 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -89.53 152.72 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -124.43 -41.25 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -91.79 -0.38 57.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.339 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 35.93 19.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.75 -30.34 59.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.53 11.08 20.45 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.678 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -155.17 176.94 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 43.0 mt -127.3 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 14.1 p-10 -134.27 -173.57 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.22 -41.26 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.54 -51.2 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.42 -40.91 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.36 -34.75 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.81 -50.76 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.02 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -59.41 -35.3 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 tpp -86.79 -22.91 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.8 -29.85 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.44 -43.74 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -35.72 75.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CE2' HD11 ' A' ' 112' ' ' ILE . 35.4 t80 -72.51 -27.39 62.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -51.67 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.266 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.6 ptm -53.97 -42.41 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.107 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.64 -30.05 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.92 137.93 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -84.19 -52.77 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -98.2 -9.9 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.14 63.49 0.66 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -101.83 -21.75 14.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.43 6.85 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -129.72 159.03 37.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.418 HD11 ' CE2' ' A' ' 101' ' ' PHE . 13.9 mt -129.63 142.82 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -137.49 174.01 11.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.87 -31.07 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.44 -52.6 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.81 -26.99 62.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -77.38 -36.34 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -66.23 -27.77 68.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.5 mt -72.52 -47.26 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.4 -30.78 69.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -30.05 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.07 -29.9 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -58.8 179.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.37 4.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.9 138.6 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 53.4 p -78.98 94.39 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 31.6 mm -106.06 135.13 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 m -88.39 163.14 16.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.15 76.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.94 -32.69 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.99 -29.96 70.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.1 mt -75.86 -29.99 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.41 -35.48 81.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -31.9 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 47.0 mmm -88.14 -24.46 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -54.71 -49.78 69.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.153 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -84.86 -18.89 33.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.367 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.04 -27.04 46.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -97.47 121.12 39.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -108.79 17.08 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -117.17 -15.26 10.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.292 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.28 29.75 11.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -96.41 -23.94 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.84 19.64 11.71 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.669 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -156.93 164.8 37.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.42 146.35 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.38 -174.92 3.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.992 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.9 -46.99 87.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.99 -48.23 82.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.1 -42.11 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 157' ' ' MET . 61.0 t80 -61.96 -35.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.3 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.84 -42.95 94.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.42 ' HG3' ' CE2' ' A' ' 153' ' ' PHE . 43.2 mmm -71.87 -39.84 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.7 tptp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.47 -29.78 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 p -58.55 -30.14 66.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.52 -35.27 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.03 -32.5 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 112' ' ' ILE . 91.5 t80 -72.69 -29.73 63.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -63.36 -57.04 11.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -58.88 -44.49 91.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -33.13 70.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.33 118.7 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -68.43 -44.59 74.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -91.42 -25.92 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.33 39.8 6.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.55 -13.85 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.01 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.69 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 21.4 m-85 -138.8 152.98 48.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 101' ' ' PHE . 34.6 mt -129.73 145.06 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -132.93 -176.21 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -28.3 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.5 -64.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.24 -23.96 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.3 tp -78.94 -46.29 18.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.144 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -61.28 -30.12 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.9 mt -68.54 -32.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.33 -38.0 87.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.14 -29.35 57.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.45 -30.81 65.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.71 69.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.5 p -75.14 170.97 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.43 -27.87 41.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.63 141.13 55.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.4 p -104.67 98.55 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.1 mm -99.88 129.52 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 t -74.2 160.26 31.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -33.17 74.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.74 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.4 -29.74 59.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.3 -32.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -43.61 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.14 -31.33 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -42.99 90.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 33.5 mmm -87.82 -22.67 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -84.85 -18.58 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.95 -28.35 54.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.479 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -72.87 133.08 44.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -120.37 -33.85 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.334 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -95.82 16.23 18.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.311 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 43.08 31.66 0.37 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 111.518 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.0 -29.57 26.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.97 -19.12 11.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -128.05 177.72 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.2 mt -124.03 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.404 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.9 p30 -134.32 -169.25 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -55.41 -51.37 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -46.83 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.14 -43.68 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.69 -30.55 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.27 -52.46 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.3 -42.66 87.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -59.2 -37.36 77.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -24.51 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.839 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.668 0.27 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -27.01 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.9 p -58.48 -31.14 67.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.79 -36.65 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.5 -30.42 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 112' ' ' ILE . 85.3 t80 -72.11 -22.75 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -52.67 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.168 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 ptm -54.03 -42.39 69.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.71 -31.83 66.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.07 127.15 41.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.58 -67.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -63.16 -23.91 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.18 49.07 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.78 -20.59 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.02 -22.27 6.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.601 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -130.14 153.51 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 101' ' ' PHE . 38.0 mt -129.64 149.51 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -132.94 179.34 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.81 -27.35 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.192 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -30.58 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.1 -30.28 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.0 mt -67.67 -57.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.87 -29.24 64.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -33.35 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.99 -29.07 69.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.15 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -60.32 173.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -85.68 -29.41 26.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.0 131.63 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 p -81.14 104.82 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -101.34 152.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 167.4 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.29 -30.53 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -32.72 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -41.88 64.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 34.8 mm -65.46 -26.93 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -58.98 -31.32 68.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.59 -38.46 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.68 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.5 mmm -74.85 -28.97 60.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -56.62 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.4 -20.07 44.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.47 52.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -82.21 113.46 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.24 -26.76 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -84.85 -17.65 37.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.27 31.08 8.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -92.44 -24.72 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.12 -20.19 8.56 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.643 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -128.2 173.16 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.7 mt -118.18 150.38 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.59 -175.81 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.414 ' CE1' HD21 ' A' ' 154' ' ' LEU . 23.1 t80 -59.47 -42.15 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -49.67 74.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.45 -41.1 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.19 -41.31 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -64.81 -50.03 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -46.94 77.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -60.24 -31.35 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 45.4 mmm -103.88 23.65 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.38 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.6 -28.92 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -58.79 -30.91 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.31 -38.8 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.97 -33.25 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CE1' HD13 ' A' ' 112' ' ' ILE . 68.1 t80 -63.64 -39.45 94.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.53 -29.56 69.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmm -58.24 -36.7 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.98 -31.22 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.38 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -101.16 -62.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -83.88 -18.29 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.66 47.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.88 -18.01 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -22.07 6.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.607 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.2 m-85 -130.75 165.79 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.403 HD13 ' CE1' ' A' ' 101' ' ' PHE . 31.0 mt -129.63 143.91 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -133.15 174.4 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.21 63.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -39.73 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -71.82 -38.17 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.9 mt -68.88 -38.22 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -60.24 -31.11 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.3 mt -73.63 -58.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -58.94 -29.68 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.53 -30.27 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.67 -30.16 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.06 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -59.94 172.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.62 -40.28 6.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 130.94 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -71.06 105.04 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.471 HD13 HG22 ' A' ' 128' ' ' ILE . 26.7 mm -95.13 118.22 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -176.93 5.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.52 -44.25 96.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -33.73 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -39.43 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.0 mt -68.6 -30.72 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.77 -34.13 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.51 -33.62 74.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -38.57 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -28.36 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -57.82 -51.95 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -84.88 -19.21 32.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.321 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.22 -39.94 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 141.63 38.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -115.91 -39.18 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.5 p30 -96.88 -3.68 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.2 t30 62.35 61.73 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.983 0.42 . . . . 0.0 110.764 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -101.09 -24.35 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.11 -27.56 6.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -134.9 -178.86 5.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 148' ' ' ILE . 36.2 mt -127.53 146.69 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.2 p30 -134.04 177.33 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' HD23 ' A' ' 154' ' ' LEU . 23.3 t80 -54.95 -52.49 62.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.094 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -53.21 -40.07 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.24 -31.97 38.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 157' ' ' MET . 1.8 t80 -72.01 -31.55 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.419 HD23 ' CZ ' ' A' ' 150' ' ' TYR . 21.5 mt -57.86 -35.12 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.8 -44.3 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.44 -41.16 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -77.53 -33.12 54.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.6 tttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.19 84.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -35.12 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.82 -37.2 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -60.05 -35.52 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.51 -33.29 74.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.25 136.29 49.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.38 -64.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -96.04 14.82 22.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.269 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.81 60.14 3.99 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 17.03 22.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 64.84 17.17 62.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.76 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 78.4 m-85 -157.2 160.94 39.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.4 mt -131.75 137.91 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.11 178.89 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -29.55 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -81.79 -60.94 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.06 -28.2 50.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 29.2 tp -79.37 -29.94 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -75.49 -29.8 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.8 mt -69.61 -33.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 ptm -79.03 -27.19 43.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.017 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.75 -29.48 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -70.24 160.92 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.86 -39.89 12.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.21 160.93 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -99.77 117.34 33.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mm -110.98 140.11 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 p -98.82 166.59 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.36 -28.7 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -47.55 81.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -40.03 93.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.6 mt -76.05 -27.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -53.23 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.87 -29.22 69.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.05 -31.74 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -59.26 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.05 -18.67 42.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.24 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.71 -27.75 58.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.69 141.5 28.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -116.05 -39.22 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -85.79 -17.68 35.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.8 t30 68.04 69.4 0.33 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.19 -22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.15 -26.24 6.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -135.7 177.68 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.91 153.79 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -134.44 -173.55 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 154' ' ' LEU . 27.8 t80 -65.14 -56.64 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.39 -31.07 54.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.073 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.04 -51.08 9.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.75 -31.87 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.42 HD11 ' CE1' ' A' ' 150' ' ' TYR . 6.8 mp -60.26 -45.48 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -74.88 -39.4 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -59.58 -29.44 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.93 21.58 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.331 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.727 0.299 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.19 -30.68 66.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -65.67 -31.03 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.51 -50.32 70.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.68 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.16 -41.14 92.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -60.73 -31.57 70.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtp -69.95 -32.95 71.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -74.36 -33.4 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -82.39 146.07 29.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -102.91 -41.0 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -84.57 -20.26 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.84 40.66 7.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.386 . . . . 0.0 111.03 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.46 -25.72 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.98 -10.97 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.753 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -129.92 158.77 38.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.0 mt -129.94 147.25 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -135.11 -175.27 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.3 -32.81 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.5 -57.03 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.38 -26.66 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 tp -80.47 -30.4 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.97 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -73.27 -46.71 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.65 -42.58 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.28 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 10.0 ptm -67.02 -29.95 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.15 -31.58 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -60.39 -30.03 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.04 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.3 p -58.77 158.14 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.16 17.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.48 144.92 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.5 p -69.69 110.02 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.434 HD11 HG22 ' A' ' 128' ' ' ILE . 24.8 mm -85.51 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.8 t -106.19 157.48 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.46 -32.05 71.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -35.42 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -45.94 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.67 -30.16 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.9 -32.96 65.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.99 -27.96 63.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.15 -37.79 72.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -26.88 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -57.02 -52.53 64.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 23.3 p-10 -84.77 -21.2 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.86 -27.41 58.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -91.91 115.68 28.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -109.45 -26.8 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.36 -18.78 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 68.33 50.31 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -103.69 -27.39 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -27.11 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -130.69 174.58 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 51.3 mt -119.12 140.26 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -134.42 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -56.12 -43.93 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.91 83.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.87 -42.34 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.19 -39.92 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.3 -34.31 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.57 -47.7 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 139' ' ' ASP . 77.6 t80 -59.92 -30.43 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 9.0 mmt -83.08 -27.09 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.1 mttm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.2 mt -76.11 -35.11 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -61.09 -32.52 72.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.8 -34.39 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.68 -32.63 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.88 -28.89 63.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.14 -52.38 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.5 ptp -57.15 -43.64 82.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.2 -31.79 67.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 174.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -114.99 -48.1 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -113.51 10.99 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.39 58.76 4.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -96.3 -28.69 14.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.04 -15.74 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -134.28 154.74 51.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.9 mt -129.73 141.9 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -135.05 -175.78 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.75 -54.66 10.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.69 -25.38 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.65 -34.88 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -67.63 -28.39 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.58 -31.05 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.05 -55.31 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -56.94 -30.48 64.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.28 87.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -60.56 171.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.21 27.99 16.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -106.97 140.82 39.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.6 p -94.2 86.24 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.17 153.45 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -106.89 167.64 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.97 -30.77 69.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.08 -36.08 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 -29.82 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.99 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.32 -31.57 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.196 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.27 -30.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.75 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -41.92 92.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -30.04 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -59.92 -58.44 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.61 -24.44 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.38 -27.44 73.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.58 138.8 34.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -110.76 -40.51 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -86.87 -15.27 39.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 t30 68.21 53.32 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -95.44 -21.47 18.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.13 -27.12 6.51 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.413 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.25 174.22 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 38.2 mt -118.08 133.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.86 -167.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.75 -48.31 66.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.503 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -47.35 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.138 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.91 -45.22 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -60.35 -31.23 70.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -42.62 80.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.04 -39.87 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -59.37 -49.87 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.39 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.677 0.275 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.65 -30.03 65.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.1 p -62.98 -31.54 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.22 -34.39 76.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.35 -29.62 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.75 -25.4 61.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -58.24 7.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 111.028 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.19 -44.1 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.89 88.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.2 106.19 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -54.46 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -76.23 -29.73 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.2 -6.36 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.339 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -25.19 5.81 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 38.0 m-85 -132.94 160.77 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.427 HD12 HG23 ' A' ' 112' ' ' ILE . 32.1 mt -129.77 144.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -133.13 175.52 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.26 -44.47 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.1 -45.66 90.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -72.11 -36.43 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.4 -43.31 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.368 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.15 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.338 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mt -68.82 -52.66 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.2 ptm -61.24 -29.43 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.53 -29.81 68.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.58 85.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.3 p -60.59 167.2 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -35.88 16.86 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.23 132.87 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.5 p -78.41 111.44 14.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.7 mm -102.4 134.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.8 p -93.42 179.73 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.41 -40.76 81.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -39.78 88.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.8 mt -73.52 -30.88 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.01 -30.7 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.07 -38.04 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 32.6 mmm -82.67 -28.31 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -57.57 -52.19 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -84.76 -18.75 34.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.12 -27.44 62.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -91.17 141.44 28.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -109.46 -40.47 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -87.59 -12.79 44.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 67.14 65.92 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -109.48 -29.83 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -20.23 8.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.661 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -128.08 165.28 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.335 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.05 144.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.9 p30 -134.61 -175.14 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.415 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 30.3 t80 -58.69 -44.45 90.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -60.03 -48.91 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -60.12 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.415 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -67.1 -47.91 69.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.69 -39.46 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.29 -42.86 99.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.1 mmt -70.76 -40.35 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.706 0.288 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.32 -27.25 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -57.36 -30.27 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.07 -39.31 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.46 -31.64 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.99 -27.73 62.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -62.1 -52.83 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ptm -54.5 -43.04 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.08 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.35 -38.61 80.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.72 154.95 36.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -54.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.54 4.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.491 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 62.75 2.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -97.93 -24.1 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.15 -22.47 6.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.84 149.41 51.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 28.3 mt -129.54 145.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -133.01 -179.7 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.46 -31.78 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.32 -58.99 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -32.46 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.19 -37.08 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -28.38 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 119' ' ' ILE . 43.0 mt -71.32 -55.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.1 ptm -59.48 -31.63 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.05 -28.57 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.72 -30.48 70.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.61 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.8 p -59.06 149.52 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.32 30.49 8.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.644 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.27 -178.48 4.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.5 p -108.55 95.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -111.98 149.96 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.3 p -128.53 166.08 19.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -31.06 68.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -31.65 57.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.25 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.09 -31.42 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.08 -41.0 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.03 -40.24 88.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -27.52 57.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -56.73 -61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.062 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -76.27 -18.86 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.07 -29.32 60.79 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -80.11 143.57 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.297 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -115.04 -34.41 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.56 25.06 10.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.218 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 43.0 54.46 4.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.581 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -90.33 -29.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.26 11.53 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.538 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -128.2 174.46 9.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 148' ' ' ILE . 31.2 mt -125.58 138.49 54.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -134.28 -172.39 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -55.18 -44.79 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.237 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.18 -49.1 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.0 -43.85 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.27 -31.08 69.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.6 -43.53 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.76 -39.92 61.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.02 -47.74 81.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.6 mmt -65.29 -43.85 89.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.706 0.289 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -90.96 135.81 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -97.72 173.21 7.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.04 -68.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -67.57 -39.5 84.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.6 mttt 60.43 79.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -106.46 31.18 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -101.16 -32.12 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.7 m -69.08 71.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.89 55.67 0.64 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.07 123.59 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.93 80.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.2 p -94.19 -176.92 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -24.34 19.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.8 -34.59 67.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -27.99 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mt -71.45 -28.36 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.8 p -57.19 -29.99 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.62 -37.1 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.99 -32.1 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.4 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.7 t80 -66.95 -45.74 76.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -59.47 -31.01 68.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -45.5 92.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -69.01 -40.73 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.15 155.74 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -56.18 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -95.66 -7.54 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.365 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.78 64.02 0.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -103.41 -27.12 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 -14.34 7.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.774 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.9 158.87 38.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.7 mt -129.69 143.39 41.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 172.66 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.18 -38.04 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -48.45 70.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.28 -45.49 80.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 104' ' ' PHE . 7.9 tp -63.89 -30.45 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -64.71 -28.46 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.7 mt -70.79 -56.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -28.91 68.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.21 -31.12 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.31 -31.02 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.35 -31.37 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.6 p -60.37 159.27 10.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.99 -49.94 20.22 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.94 152.51 23.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -96.28 94.55 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -80.6 148.78 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 p -104.24 163.48 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -30.97 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -36.23 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -30.51 71.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.1 mt -72.56 -30.64 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -58.03 -31.24 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.23 -34.16 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.21 -37.41 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -80.29 -30.59 38.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.48 -50.95 71.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -84.77 -19.87 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.64 -28.29 51.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.18 125.6 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.19 -23.36 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -91.7 8.79 35.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.454 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 42.97 37.71 1.2 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.9 0.381 . . . . 0.0 111.559 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.63 -27.55 15.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.03 -20.87 9.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.568 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -128.06 169.49 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -117.91 141.36 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -134.38 -171.08 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -55.02 -49.44 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.184 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.91 -45.09 87.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -47.12 87.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.6 -31.2 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -35.47 24.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -73.39 -42.48 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -32.21 65.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -77.78 62.65 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.6 75.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.4 t -75.21 -49.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.1 p -178.07 135.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.103 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.1 mtp180 60.51 97.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.0 t -118.66 107.9 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 ttm -112.18 -35.3 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.16 171.71 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.93 -34.91 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.2 102.94 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -89.31 -177.84 5.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -107.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -71.13 78.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 p -100.25 -178.61 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.74 -31.34 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -24.07 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.46 -31.74 56.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.96 -30.07 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 p -59.67 -35.23 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.86 -34.93 75.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.92 -31.05 40.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.1 -39.5 94.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -60.32 -31.68 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mmm -60.39 -36.86 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.416 ' CE2' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -74.71 -45.3 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 141.89 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -78.87 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -108.25 18.38 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 51.29 63.51 2.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 111.264 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -95.07 -27.5 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.54 -16.4 8.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.647 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 149' ' ' ASP . 89.2 m-85 -131.72 162.9 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.5 mt -129.71 135.77 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -132.97 178.59 6.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -33.25 70.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.01 -47.34 52.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.73 -32.86 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 104' ' ' PHE . 6.4 tp -78.11 -30.73 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -62.73 -28.86 70.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.0 mt -70.59 -54.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ptm -59.0 -29.14 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.2 mt -72.46 -28.63 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.6 -30.1 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.06 -47.84 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.7 p -59.89 158.62 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.44 29.13 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -99.7 151.25 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.9 p -93.23 85.36 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.81 130.9 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.42 161.33 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.43 -29.49 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.82 -37.72 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.87 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 15.9 mt -68.9 -30.84 48.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.1 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -82.38 -32.04 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -27.43 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.5 mtp -88.29 -24.26 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -55.58 -43.2 75.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 26.4 p-10 -70.31 -19.6 63.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 156' ' ' PHE . . . -97.96 -25.54 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.557 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -88.21 122.65 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.77 -22.42 10.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -85.83 -11.88 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.179 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 63.64 31.44 14.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.86 -28.2 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.6 -22.24 8.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.57 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.31 175.61 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.5 mt -118.25 142.12 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.405 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p30 -134.44 169.07 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 88.5 t80 -58.0 -25.2 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.3 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -58.69 4.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.99 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -75.9 -33.21 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.049 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 157' ' ' MET . 38.5 t80 -59.58 -28.29 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.456 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 3.2 mp -66.53 -43.44 85.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -72.65 -36.71 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.413 ' CD2' ' HA2' ' A' ' 140' ' ' GLY . 15.5 t80 -67.17 -33.9 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 153' ' ' PHE . 1.6 mmt -74.32 -35.15 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -84.93 72.09 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.42 71.53 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.15 -38.37 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.056 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.876 0.37 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.0 p -163.37 123.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -121.38 114.76 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.8 m -65.46 116.92 7.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.83 130.48 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt 63.79 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.88 108.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.2 -175.83 5.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 149.75 31.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -97.25 39.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.018 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.84 -148.42 6.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -100.16 80.94 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.322 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -176.24 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -30.19 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.44 -26.4 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.43 -42.74 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mt -58.05 -30.27 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.425 ' CB ' ' CE1' ' A' ' 150' ' ' TYR . 14.8 p -70.72 -32.14 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.59 -46.42 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.01 -29.67 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.26 -36.68 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -38.55 89.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.04 -37.68 88.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -38.57 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -78.82 146.27 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -111.12 -35.38 5.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.85 -23.76 33.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.91 39.81 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 111.05 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -100.35 -23.97 14.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 119.02 24.47 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.695 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.0 m-85 -157.58 155.86 30.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.9 mt -129.55 135.15 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -132.96 -176.95 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -47.35 86.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.347 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.34 -46.77 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.122 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -44.89 70.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 32.2 tp -61.52 -33.13 73.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.9 mt -74.68 -31.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 ttp -68.8 -44.41 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.0 mt -75.69 -29.39 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.65 -27.91 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.13 90.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.1 p -58.93 174.29 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.36 34.78 5.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -106.61 171.11 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.3 p -106.07 48.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mp -67.69 150.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.6 p -111.86 169.63 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.86 -31.1 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.66 -37.05 85.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.07 -42.58 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.1 mt -62.49 -30.34 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.58 -35.18 78.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.0 -33.88 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.15 -35.57 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -33.57 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.5 -52.82 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -83.09 -24.84 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.02 -29.51 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.25 114.16 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -106.39 2.05 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.436 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.34 -19.29 13.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.51 35.63 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -96.4 -24.43 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.1 -23.77 7.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.619 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -128.33 177.98 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.06 140.42 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -134.35 161.5 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.425 ' CE1' ' CB ' ' A' ' 98' ' ' SER . 67.0 t80 -52.57 -27.38 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -56.51 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 0.0 111.033 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -24.49 40.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -56.65 -43.93 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -29.48 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.94 -27.58 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.49 -24.28 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.09 18.12 19.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.224 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 26.86 2.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.278 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.78 55.44 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.363 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.9 m -84.93 -30.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.06 -35.58 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -131.42 116.1 17.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 t -158.13 158.44 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 mtt 63.04 144.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 121.76 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -82.59 152.34 25.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -106.85 102.02 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.92 30.29 3.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -118.43 149.58 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.19 -89.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 117.67 34.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.8 t -88.51 -177.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -65.31 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.97 -30.87 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -59.23 -34.66 72.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.8 mt -68.76 -31.21 70.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -68.23 -39.6 82.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.32 -36.68 78.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.54 -31.08 68.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -69.4 -32.9 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -70.15 -32.37 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -31.02 62.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.36 -41.79 27.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.54 123.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -53.3 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -76.12 -25.87 55.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.01 39.99 5.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.892 0.377 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -93.39 -21.26 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 0.45 8.16 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -144.67 158.05 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.1 mt -129.79 146.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -133.09 177.32 7.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.64 -29.89 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -51.61 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.59 -24.26 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 13.4 tp -79.3 -32.89 43.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.246 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 ptmt -72.32 -29.1 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -71.96 -48.37 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 ptm -62.72 -29.42 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.0 tp -71.91 -27.28 62.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -56.0 -28.57 57.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.08 -28.8 64.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.9 p -58.64 166.78 1.7 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.02 -28.24 29.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -87.55 156.09 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.1 p -87.47 124.63 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.2 mm -112.31 138.34 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 75.9 p -95.72 159.27 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -59.17 -30.76 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.25 -32.52 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -30.3 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 18.6 mt -74.69 -23.05 17.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.32 -41.96 69.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.001 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.51 -28.94 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.05 -40.38 84.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -83.02 -29.6 28.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -58.88 -53.46 58.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -75.5 -24.05 56.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.98 -27.68 52.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.04 116.18 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -109.26 -24.77 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.49 -21.13 32.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 67.31 52.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -107.99 -23.64 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -26.63 6.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -132.5 175.38 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 13.5 mt -118.06 141.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -134.31 -178.47 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.85 -42.11 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -43.05 98.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.17 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD2' ' HE2' ' A' ' 157' ' ' MET . 1.8 t80 -59.62 -34.81 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -36.17 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.49 -48.58 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.24 -35.97 74.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.422 ' HE2' ' CD2' ' A' ' 153' ' ' PHE . 1.5 mpp? -84.17 -12.55 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -85.68 54.66 3.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 93.15 2.28 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.56 29.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.107 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ttm . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.2 p -161.73 -44.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -173.84 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.16 -171.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 mmm 64.6 -78.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.31 109.59 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.04 -64.59 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.2 105.29 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 150.49 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -83.77 86.09 7.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.07 -110.02 0.41 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -110.07 101.69 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.06 -174.71 3.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -22.46 43.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -25.71 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.176 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -30.0 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.84 0.352 . . . . 0.0 111.196 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.53 -30.84 63.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.9 p -60.96 -39.67 90.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.26 -38.72 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.58 -36.87 85.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 112' ' ' ILE . 55.2 t80 -71.92 -32.43 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -61.41 -52.62 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.022 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.8 ptp -55.86 -44.32 77.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.91 -37.8 74.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.01 156.15 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.89 -56.12 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.49 -6.36 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.18 59.71 1.26 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -97.6 -24.16 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 -19.75 6.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.84 155.65 45.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.406 HD11 ' CE2' ' A' ' 101' ' ' PHE . 13.1 mt -129.76 141.15 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -132.96 -177.72 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.09 -43.2 86.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.94 -54.17 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -33.52 72.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.1 tp -79.57 -29.28 41.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.5 mt -72.29 -53.26 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ptm -58.72 -30.02 67.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -32.64 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.0 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.3 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.7 p -60.35 178.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.66 -31.2 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.47 131.31 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -79.15 91.43 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.76 155.72 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 29.2 p -104.91 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -64.93 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -47.52 74.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.81 -35.98 79.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 13.7 mt -73.8 -29.82 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -58.88 -25.9 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -57.31 -47.46 81.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.04 -31.02 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.69 -58.06 8.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -80.15 -18.1 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.09 -27.18 62.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -96.66 131.68 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -113.42 -28.96 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -90.62 -2.91 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -77.59 -29.13 51.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.89 -26.42 7.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -128.24 178.64 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.08 149.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.078 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.48 -172.78 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -64.18 -46.5 83.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -47.66 83.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.91 -45.53 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -31.71 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.58 -36.34 17.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.97 -30.08 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -46.95 9.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -84.32 73.85 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.77 80.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 2.8 t -83.51 58.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 111.073 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.932 0.396 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 p -101.19 129.92 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 41.15 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 98.5 m -112.97 103.11 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -124.39 161.29 26.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -149.84 143.38 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.91 128.53 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -167.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.48 50.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -105.76 179.41 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.48 118.48 5.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -102.02 -176.38 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.95 -85.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.28 -31.75 29.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.27 -28.48 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -30.42 65.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.072 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 28.5 mt -72.99 -30.61 63.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -59.69 -39.38 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.06 -32.82 30.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.95 -30.68 64.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.06 -32.48 73.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -33.53 75.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.9 mtt -59.99 -41.08 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -64.13 -39.33 93.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.43 134.82 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -88.94 -58.55 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.0 p30 -85.44 -15.02 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.267 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.73 75.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.882 0.372 . . . . 0.0 111.013 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.78 -21.62 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -25.69 5.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -129.82 168.07 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.9 mt -129.7 143.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -133.02 175.83 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.67 -37.83 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.14 -55.3 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -42.52 99.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.03 -31.34 71.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -64.49 -27.72 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 21.1 mt -71.71 -51.69 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.139 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 ptm -62.73 -29.2 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -32.46 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -60.0 -31.4 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.3 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -60.98 143.11 55.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.47 -34.19 73.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.28 143.13 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 p -85.4 111.66 20.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mm -110.81 138.65 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.25 173.61 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -67.7 -31.46 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -37.36 72.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 10.9 mt -69.41 -32.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.35 -31.87 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.4 ttm -87.71 -32.55 19.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.37 -43.89 96.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -84.92 -18.66 33.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.387 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.78 -27.58 50.03 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -89.31 138.87 31.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -110.44 -41.61 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -88.28 -14.55 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 66.81 71.87 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.07 -23.54 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.99 -26.91 6.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -131.24 174.36 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 14.2 mt -118.52 148.13 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -134.38 -178.07 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.94 -45.57 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.73 -47.54 85.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.09 -45.6 73.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.4 -33.25 73.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.16 -47.53 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.9 -37.31 78.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.26 -45.41 88.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -31.47 62.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -78.65 61.78 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.76 73.12 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.52 -34.46 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 -179.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.6 mtp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m 42.75 35.43 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.688 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -158.22 115.25 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.7 -48.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.68 -56.51 17.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -105.07 78.5 1.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.8 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 31.54 5.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.68 115.08 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -101.45 178.9 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.88 -112.52 0.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -108.54 120.92 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.2 t -100.38 177.72 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.29 -22.02 60.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -58.49 -34.86 71.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.047 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.36 -30.9 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.0 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.23 -27.78 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -30.81 65.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -38.34 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.8 mm? -58.88 -37.43 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CE1' HD13 ' A' ' 112' ' ' ILE . 84.2 t80 -68.85 -42.31 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -59.29 -30.23 68.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -39.32 93.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.82 -43.38 36.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.64 115.19 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -67.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.31 -20.81 56.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.82 72.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.224 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.4 -16.76 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.04 -24.27 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.87 171.79 12.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.412 HD13 ' CE1' ' A' ' 101' ' ' PHE . 35.2 mt -129.77 138.74 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.04 171.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -44.28 92.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -71.55 -36.51 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.8 tp -68.56 -30.72 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -67.18 -26.95 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.2 mt -70.19 -46.13 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -64.86 -27.82 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.75 -31.34 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.04 83.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.9 p -60.32 147.5 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.58 28.5 13.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.76 173.7 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.3 p -102.81 77.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mt -110.33 149.34 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 52.0 p -109.03 -174.04 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.9 -31.47 59.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -31.19 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -36.43 79.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.9 mt -63.6 -30.35 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.95 -30.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.49 -33.24 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -32.57 72.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -31.08 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -50.62 72.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -84.74 -22.38 29.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.83 -27.34 58.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 126.67 38.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -109.99 -29.73 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.988 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.58 -20.46 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 67.58 36.77 3.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -89.31 -20.78 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.29 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -130.76 171.04 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -118.09 140.37 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -134.26 -172.27 2.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.425 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 13.6 t80 -57.09 -50.94 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -56.22 -38.76 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.239 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -80.06 -36.14 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.069 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.42 -36.71 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -58.51 -35.29 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.78 -36.11 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -59.26 -30.0 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.16 24.15 10.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.0 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -91.31 23.73 3.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.8 63.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.9 m -102.11 74.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p -109.62 -31.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -96.04 101.98 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -156.06 -62.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmt -129.0 113.84 15.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -97.09 -41.99 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -96.4 42.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.07 -63.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -90.34 104.16 16.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.04 120.49 41.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.29 -136.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -98.65 75.76 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.0 t -89.29 174.53 7.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.736 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.47 -27.51 4.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -60.33 -28.33 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.054 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.48 -28.63 63.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.172 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.45 -28.96 63.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -58.06 -30.3 66.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -41.76 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.51 -45.13 63.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 65.4 t80 -59.98 -42.95 95.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -32.56 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.65 -42.6 81.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.12 -34.59 77.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 149.25 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.62 -57.69 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -103.1 8.73 38.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 65.33 1.53 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.29 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.608 ' OD1' 'CA ' ' A' ' 162' ' ' ' CA' . 12.8 p-10 -103.87 -25.71 12.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.33 6.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.624 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -129.7 153.25 48.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.41 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 1.9 mp -129.72 148.16 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.98 178.32 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mp -59.04 -44.72 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.2 -52.74 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.02 -45.79 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.34 -33.13 74.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.473 HD11 HG21 ' A' ' 119' ' ' ILE . 30.6 mt -69.67 -54.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -57.03 -27.3 61.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.1 mt -72.29 -30.72 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -62.9 -30.91 71.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.43 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.5 p -63.33 163.78 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.54 -36.32 8.07 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.52 153.52 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.6 p -89.78 110.82 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.6 mm -85.44 140.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.7 p -78.69 153.19 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.61 -31.13 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.18 -35.13 80.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.46 -33.3 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 22.3 mt -76.28 -30.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.4 -32.92 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.42 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.71 -30.67 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -79.48 -31.66 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -67.23 -60.61 2.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -68.72 -18.38 64.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.74 -26.95 33.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.577 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.92 112.58 24.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -113.31 -17.56 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -85.79 -13.21 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 64.54 31.16 12.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.955 0.407 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -90.61 -27.37 19.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.69 -23.95 8.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.551 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -128.33 -178.24 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.91 143.74 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 20.5 p30 -134.53 173.52 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.452 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 12.2 t80 -61.37 -25.69 67.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.26 -57.7 7.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.24 -35.35 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.61 -29.32 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.452 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 3.1 mp -66.45 -33.54 75.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -85.18 -39.84 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.09 -44.91 94.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.769 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -30.89 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -78.96 61.94 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.84 68.2 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 26.2 t -65.86 -38.58 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.052 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . 0.608 'CA ' ' OD1' ' A' ' 109' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.9 p -171.09 59.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.023 0.439 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -139.62 154.85 47.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.26 35.12 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.5 103.91 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.22 -29.47 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.91 -179.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.88 174.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 t -76.16 -47.48 24.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 93.87 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.52 29.68 11.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -92.95 89.98 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.7 t -90.75 -170.24 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -26.23 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.5 -28.31 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.139 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -26.47 49.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.73 -29.11 58.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.6 p -58.71 -30.48 67.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.9 -30.09 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.69 -31.38 28.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 112' ' ' ILE . 48.4 t80 -68.08 -46.86 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -30.63 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 mtt -66.45 -44.21 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.36 -45.33 93.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.75 131.81 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.04 -65.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -86.6 -10.55 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.27 74.9 0.39 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.987 0.422 . . . . 0.0 111.035 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.94 -21.86 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.24 -23.31 6.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 91.9 m-85 -129.88 162.97 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 101' ' ' PHE . 22.3 mt -129.65 145.16 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -137.43 -175.5 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.55 -38.39 80.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -67.2 -50.68 60.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -63.91 -34.49 78.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.1 tp -78.87 -29.9 44.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.29 -29.82 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.7 mt -70.23 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ppp? -55.02 -31.63 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -30.18 57.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.86 84.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.2 p -59.84 179.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.62 -25.17 6.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.22 142.04 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -82.6 86.78 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.3 mt -98.79 133.94 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.63 178.88 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -72.04 -31.58 66.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.31 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.71 -28.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.18 -51.63 59.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -29.3 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.061 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -34.66 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.0 ttm -85.0 -17.94 36.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -62.61 1.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.23 -21.25 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.93 -27.03 42.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -96.5 133.88 40.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 111.019 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -134.38 25.21 3.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.64 -5.45 9.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.419 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.83 29.58 19.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.851 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -105.43 -18.15 14.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.25 26.64 17.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -156.51 166.65 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.1 mt -120.13 143.98 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.416 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.8 p30 -134.45 -175.88 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -59.25 -43.41 92.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -42.81 99.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.59 -36.38 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.53 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.2 -53.94 48.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.15 -42.33 94.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.419 ' CZ ' HG13 ' A' ' 160' ' ' VAL . 31.4 t80 -60.31 -44.03 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -78.03 62.46 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.45 71.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.545 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.419 HG13 ' CZ ' ' A' ' 156' ' ' PHE . 24.5 t -73.44 -56.84 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.865 0.364 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.7 m -133.67 124.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 88.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 t -115.82 -49.63 2.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.15 41.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -98.23 30.28 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -110.49 31.44 5.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -101.42 77.39 1.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -84.27 174.57 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -97.11 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.85 58.42 0.42 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.578 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -59.13 148.44 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.72 -74.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.41 -49.55 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.92 -23.34 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -60.72 -18.7 56.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.179 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -48.98 -28.1 3.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.42 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -59.66 -32.23 70.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.63 -33.75 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.27 -29.73 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 112' ' ' ILE . 58.7 t80 -68.68 -27.41 65.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.05 -54.24 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.097 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.0 ptm -55.36 -43.02 74.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.14 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -56.74 -30.87 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.41 151.4 30.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.59 -53.89 3.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -95.89 -8.04 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.3 52.04 2.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -91.27 -22.78 20.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.06 -20.2 6.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.9 m-85 -129.92 163.25 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.406 HD12 ' CE2' ' A' ' 101' ' ' PHE . 22.5 mt -129.68 145.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.11 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.92 -46.18 88.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.88 -53.48 53.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.24 -31.15 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.3 tp -78.9 -30.37 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.89 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 8.7 mt -67.83 -48.4 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.7 ptm -59.6 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.32 -29.98 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -57.92 -30.81 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.19 69.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.4 p -65.48 164.87 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.27 -44.35 8.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.56 152.63 43.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.731 0.301 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.6 p -97.33 102.87 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 30.6 mm -86.18 147.13 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.4 p -93.22 166.49 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.31 -31.34 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -36.56 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -39.58 79.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.2 mm -73.85 -29.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -31.01 68.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.97 -33.09 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -32.47 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.04 -31.76 19.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -60.6 -48.55 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -84.14 -17.4 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.365 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.65 -27.02 52.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.52 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -89.75 126.58 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -112.95 -33.29 6.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -87.75 -11.4 48.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 66.11 60.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -109.8 -28.43 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.33 10.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.562 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -128.23 167.66 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 37.3 mt -118.28 146.37 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 5.6 p-10 -134.56 -173.77 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 18.3 t80 -57.87 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.17 -48.55 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -70.24 -40.16 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.09 -41.16 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -37.51 85.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.41 -37.34 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.46 -47.88 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -38.82 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -73.99 64.5 1.02 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.7 91.91 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.4 t -94.93 43.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.3 mtt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.15 -53.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -169.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 23.5 t -81.63 123.38 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.1 110.09 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.92 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -97.66 36.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -43.76 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.96 131.43 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.04 122.0 22.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.13 -159.03 34.92 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -98.04 49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.6 p -86.83 -177.75 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.13 -22.41 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.288 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.34 -28.91 66.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -24.9 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.35 -29.7 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 t -59.87 -30.28 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.3 -43.42 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.05 -33.94 72.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 112' ' ' ILE . 46.9 t80 -70.21 -40.68 74.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -58.94 -30.34 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.4 mtt -73.21 -31.52 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.03 -33.0 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.28 154.14 42.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.5 -47.5 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -105.06 -4.49 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.86 68.29 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.87 -26.75 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.08 -20.84 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.67 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 11.4 m-85 -129.73 151.92 49.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.432 HG22 HD13 ' A' ' 112' ' ' ILE . 31.9 mt -129.86 149.51 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -134.04 -179.14 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.84 -31.19 69.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.64 -56.6 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.22 -32.96 74.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.29 -28.7 63.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.12 -27.02 67.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.053 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 42.4 mt -71.81 -33.75 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.217 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.56 -29.41 33.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.991 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.5 mt -75.81 -40.34 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.08 -46.31 89.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.66 72.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.2 p -75.82 148.36 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.53 32.54 6.41 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.29 172.35 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.5 p -102.99 72.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mt -112.23 121.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.43 166.54 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.17 -39.38 82.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.27 -31.01 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -30.08 71.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 133' ' ' ILE . 31.6 mt -69.24 -35.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.68 -35.37 79.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.82 -31.77 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.64 -50.01 75.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -27.14 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -56.68 -63.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -75.39 -19.0 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.265 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.86 -27.23 57.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.404 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -89.53 152.72 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -124.43 -41.25 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -91.79 -0.38 57.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.339 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 35.93 19.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.75 -30.34 59.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.53 11.08 20.45 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.678 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -155.17 176.94 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 43.0 mt -127.3 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 14.1 p-10 -134.27 -173.57 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.22 -41.26 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.54 -51.2 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.42 -40.91 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -59.36 -34.75 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.81 -50.76 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.02 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -59.41 -35.3 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 tpp -86.79 -22.91 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.36 57.71 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.2 79.62 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.55 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.7 t -75.79 -32.14 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.349 . . . . 0.0 111.18 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.12 177.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 80.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.5 m -127.06 -178.15 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.29 -179.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -113.27 103.17 11.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -69.0 -45.55 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.27 50.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.1 t -98.43 34.5 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -116.81 78.58 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.43 -117.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -104.39 67.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.9 t -85.66 -169.24 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -65.53 -16.56 63.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -67.89 -50.68 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 111.179 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -29.54 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.139 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.1 mt -58.8 -29.85 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.44 -43.74 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -35.72 75.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.418 ' CE2' HD11 ' A' ' 112' ' ' ILE . 35.4 t80 -72.51 -27.39 62.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -51.67 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.266 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.6 ptm -53.97 -42.41 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.107 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.64 -30.05 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.92 137.93 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -84.19 -52.77 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -98.2 -9.9 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.14 63.49 0.66 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -101.83 -21.75 14.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.43 6.85 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -129.72 159.03 37.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.418 HD11 ' CE2' ' A' ' 101' ' ' PHE . 13.9 mt -129.63 142.82 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -137.49 174.01 11.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -58.87 -31.07 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.44 -52.6 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -71.81 -26.99 62.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.5 tp -77.38 -36.34 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.27 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -66.23 -27.77 68.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.5 mt -72.52 -47.26 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.4 ptm -68.4 -30.78 69.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.83 -30.05 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.07 -29.9 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -58.8 179.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.37 4.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.9 138.6 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 53.4 p -78.98 94.39 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 31.6 mm -106.06 135.13 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 m -88.39 163.14 16.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.15 76.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.94 -32.69 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.99 -29.96 70.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.1 mt -75.86 -29.99 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.41 -35.48 81.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -31.9 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 47.0 mmm -88.14 -24.46 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -54.71 -49.78 69.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.153 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -84.86 -18.89 33.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.367 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.04 -27.04 46.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -97.47 121.12 39.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -108.79 17.08 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -117.17 -15.26 10.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.292 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.28 29.75 11.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -96.41 -23.94 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.84 19.64 11.71 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.669 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -156.93 164.8 37.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.42 146.35 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.38 -174.92 3.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.992 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.9 -46.99 87.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.99 -48.23 82.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.1 -42.11 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 157' ' ' MET . 61.0 t80 -61.96 -35.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.3 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.84 -42.95 94.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.42 ' HG3' ' CE2' ' A' ' 153' ' ' PHE . 43.2 mmm -71.87 -39.84 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -77.87 67.57 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.7 77.27 1.17 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.43 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.73 0.3 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.19 -25.51 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -95.78 41.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.44 -49.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -174.89 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -68.53 94.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.59 -34.13 73.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 140.53 30.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 120.28 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -71.08 78.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.17 172.4 22.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -78.07 94.08 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.24 -173.91 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -34.6 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -24.82 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.14 -57.79 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.47 -29.78 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 p -58.55 -30.14 66.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.52 -35.27 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.5 mt -66.03 -32.5 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' A' ' 112' ' ' ILE . 91.5 t80 -72.69 -29.73 63.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -63.36 -57.04 11.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -58.88 -44.49 91.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -33.13 70.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.33 118.7 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -68.43 -44.59 74.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -91.42 -25.92 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.33 39.8 6.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.55 -13.85 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.01 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.69 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 21.4 m-85 -138.8 152.98 48.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.417 HD11 ' CE1' ' A' ' 101' ' ' PHE . 34.6 mt -129.73 145.06 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -132.93 -176.21 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -28.3 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.5 -64.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -58.24 -23.96 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 24.3 tp -78.94 -46.29 18.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.144 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -61.28 -30.12 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.9 mt -68.54 -32.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.33 -38.0 87.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.14 -29.35 57.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.45 -30.81 65.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.71 69.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.5 p -75.14 170.97 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.43 -27.87 41.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.63 141.13 55.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.4 p -104.67 98.55 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.1 mm -99.88 129.52 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 t -74.2 160.26 31.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -33.17 74.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.74 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.4 -29.74 59.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 35.3 mm -64.3 -32.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -65.01 -43.61 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.14 -31.33 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -42.99 90.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 33.5 mmm -87.82 -22.67 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -84.85 -18.58 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.95 -28.35 54.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.479 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -72.87 133.08 44.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -120.37 -33.85 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.334 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -95.82 16.23 18.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.311 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 43.08 31.66 0.37 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 111.518 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.624 ' OD1' 'CA ' ' A' ' 163' ' ' ' CA' . 9.9 p-10 -84.0 -29.57 26.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.97 -19.12 11.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -128.05 177.72 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.2 mt -124.03 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.404 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.9 p30 -134.32 -169.25 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -55.41 -51.37 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -46.83 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -67.14 -43.68 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.69 -30.55 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.27 -52.46 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.3 -42.66 87.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -59.2 -37.36 77.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -24.51 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -82.03 58.58 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.1 73.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 23.2 t -68.84 -31.22 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . 0.624 'CA ' ' OD1' ' A' ' 145' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.829 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.66 139.0 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -79.06 144.91 34.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.9 m -140.34 118.47 11.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.5 mmm 62.73 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -110.61 126.07 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -108.9 -37.66 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -98.5 -176.5 3.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -172.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -58.3 158.8 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.75 -76.84 0.33 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -84.29 102.22 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.401 ' CG2' ' CG ' ' A' ' 95' ' ' GLU . 11.1 t -100.31 -163.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -44.32 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' CG ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -55.11 -24.4 25.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -58.64 -22.01 55.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.98 -27.01 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.9 p -58.48 -31.14 67.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.79 -36.65 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.5 -30.42 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 112' ' ' ILE . 85.3 t80 -72.11 -22.75 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -52.67 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.168 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 ptm -54.03 -42.39 69.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.71 -31.83 66.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.07 127.15 41.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.58 -67.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -63.16 -23.91 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.18 49.07 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.78 -20.59 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.02 -22.27 6.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.601 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -130.14 153.51 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.421 HD11 ' CE1' ' A' ' 101' ' ' PHE . 38.0 mt -129.64 149.51 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -132.94 179.34 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.81 -27.35 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.192 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -30.58 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.1 -30.28 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.981 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.0 mt -67.67 -57.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.87 -29.24 64.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.11 -33.35 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.99 -29.07 69.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.15 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -60.32 173.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -85.68 -29.41 26.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.0 131.63 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 p -81.14 104.82 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -101.34 152.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 167.4 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.29 -30.53 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -32.72 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -41.88 64.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 34.8 mm -65.46 -26.93 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -58.98 -31.32 68.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.59 -38.46 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.68 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 69.5 mmm -74.85 -28.97 60.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -56.62 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.4 -20.07 44.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.47 52.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -82.21 113.46 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.24 -26.76 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -84.85 -17.65 37.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.27 31.08 8.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.601 ' OD2' 'CA ' ' A' ' 163' ' ' ' CA' . 3.4 p30 -92.44 -24.72 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.12 -20.19 8.56 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.643 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -128.2 173.16 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.7 mt -118.18 150.38 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.59 -175.81 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.414 ' CE1' HD21 ' A' ' 154' ' ' LEU . 23.1 t80 -59.47 -42.15 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -49.67 74.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.45 -41.1 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.19 -41.31 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -64.81 -50.03 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -46.94 77.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -60.24 -31.35 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 45.4 mmm -103.88 23.65 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.51 23.66 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.38 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 62.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.0 m -99.42 -34.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . 0.601 'CA ' ' OD2' ' A' ' 145' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.9 t -110.13 21.59 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.69 -173.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.7 m -114.32 -175.78 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 64.57 32.94 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -60.02 -47.8 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.43 -30.21 25.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -22.43 47.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 m -96.06 37.7 1.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.986 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -118.41 179.4 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.45 -130.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 125.74 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.75 0.309 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.05 -172.72 4.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.79 -35.71 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -29.08 69.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.43 -27.61 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.6 -28.92 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -58.79 -30.91 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.31 -38.8 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.97 -33.25 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.403 ' CE1' HD13 ' A' ' 112' ' ' ILE . 68.1 t80 -63.64 -39.45 94.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.53 -29.56 69.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmm -58.24 -36.7 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.98 -31.22 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.38 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -101.16 -62.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 33.4 p30 -83.88 -18.29 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 67.66 47.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.88 -18.01 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -22.07 6.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.607 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.2 m-85 -130.75 165.79 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.403 HD13 ' CE1' ' A' ' 101' ' ' PHE . 31.0 mt -129.63 143.91 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -133.15 174.4 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.21 63.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -39.73 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -71.82 -38.17 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.9 mt -68.88 -38.22 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -60.24 -31.11 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 13.3 mt -73.63 -58.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -58.94 -29.68 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.7 mt -75.53 -30.27 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.67 -30.16 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.06 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -59.94 172.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.62 -40.28 6.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 130.94 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -71.06 105.04 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.471 HD13 HG22 ' A' ' 128' ' ' ILE . 26.7 mm -95.13 118.22 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -176.93 5.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.52 -44.25 96.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -33.73 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -39.43 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.0 mt -68.6 -30.72 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.77 -34.13 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.51 -33.62 74.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.56 -38.57 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -28.36 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -57.82 -51.95 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -84.88 -19.21 32.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.321 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.22 -39.94 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 141.63 38.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -115.91 -39.18 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.5 p30 -96.88 -3.68 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.2 t30 62.35 61.73 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.983 0.42 . . . . 0.0 110.764 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -101.09 -24.35 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.11 -27.56 6.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -134.9 -178.86 5.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.464 HD11 HG21 ' A' ' 148' ' ' ILE . 36.2 mt -127.53 146.69 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.2 p30 -134.04 177.33 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' HD23 ' A' ' 154' ' ' LEU . 23.3 t80 -54.95 -52.49 62.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.094 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -53.21 -40.07 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.24 -31.97 38.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.42 ' CD2' ' HG3' ' A' ' 157' ' ' MET . 1.8 t80 -72.01 -31.55 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.419 HD23 ' CZ ' ' A' ' 150' ' ' TYR . 21.5 mt -57.86 -35.12 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.8 -44.3 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.44 -41.16 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.42 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -77.53 -33.12 54.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -86.65 70.04 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.8 68.1 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.402 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.1 t -59.11 -30.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.9 mtt . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.789 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.03 96.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -67.05 -68.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.0 t -163.03 108.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.21 130.2 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.25 169.4 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.88 89.36 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -79.7 -48.19 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.3 m -84.2 95.13 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -75.15 -171.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.56 -111.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -96.26 92.47 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.8 p -100.29 -176.59 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -59.15 -27.58 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.29 -50.47 63.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.19 84.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -35.12 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.82 -37.2 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -60.05 -35.52 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.51 -33.29 74.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.25 136.29 49.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.38 -64.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -96.04 14.82 22.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.269 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.81 60.14 3.99 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 17.03 22.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 64.84 17.17 62.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.76 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 78.4 m-85 -157.2 160.94 39.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.4 mt -131.75 137.91 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.11 178.89 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -29.55 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -81.79 -60.94 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -55.06 -28.2 50.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 29.2 tp -79.37 -29.94 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.8 tmtt? -75.49 -29.8 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.8 mt -69.61 -33.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 ptm -79.03 -27.19 43.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.017 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.75 -29.48 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -70.24 160.92 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.86 -39.89 12.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.21 160.93 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -99.77 117.34 33.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.2 mm -110.98 140.11 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 p -98.82 166.59 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -60.36 -28.7 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -47.55 81.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -40.03 93.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.6 mt -76.05 -27.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -53.23 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.87 -29.22 69.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.05 -31.74 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -59.26 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.05 -18.67 42.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.24 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.71 -27.75 58.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.69 141.5 28.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -116.05 -39.22 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -85.79 -17.68 35.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.8 t30 68.04 69.4 0.33 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.19 -22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.15 -26.24 6.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -135.7 177.68 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.91 153.79 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -134.44 -173.55 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 154' ' ' LEU . 27.8 t80 -65.14 -56.64 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.39 -31.07 54.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.073 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.04 -51.08 9.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.75 -31.87 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.42 HD11 ' CE1' ' A' ' 150' ' ' TYR . 6.8 mp -60.26 -45.48 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -74.88 -39.4 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -59.58 -29.44 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.93 21.58 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.56 27.45 2.0 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.331 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 62.67 0.68 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.48 29.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.28 118.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -140.3 111.9 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 91.4 m -138.84 79.02 1.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.4 ttt -169.2 -44.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -107.33 94.4 5.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 -48.43 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -71.12 -178.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -87.85 -66.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 175.58 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.36 -66.87 1.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.573 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -97.67 87.65 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.13 -175.6 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -61.37 -22.48 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.32 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -28.84 69.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.19 -30.68 66.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -65.67 -31.03 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.51 -50.32 70.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.68 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.16 -41.14 92.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -60.73 -31.57 70.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtp -69.95 -32.95 71.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -74.36 -33.4 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -82.39 146.07 29.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -102.91 -41.0 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -84.57 -20.26 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.84 40.66 7.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.386 . . . . 0.0 111.03 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.46 -25.72 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.98 -10.97 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.753 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -129.92 158.77 38.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.0 mt -129.94 147.25 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -135.11 -175.27 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.3 -32.81 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.5 -57.03 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.38 -26.66 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 47.7 tp -80.47 -30.4 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.97 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -73.27 -46.71 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.7 pp -57.65 -42.58 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.28 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 10.0 ptm -67.02 -29.95 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.01 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -74.15 -31.58 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -60.39 -30.03 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.04 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.3 p -58.77 158.14 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.16 17.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.48 144.92 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.5 p -69.69 110.02 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.434 HD11 HG22 ' A' ' 128' ' ' ILE . 24.8 mm -85.51 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.8 t -106.19 157.48 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.46 -32.05 71.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -35.42 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.02 -45.94 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 6.3 mt -62.67 -30.16 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.9 -32.96 65.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.99 -27.96 63.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.15 -37.79 72.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -26.88 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -57.02 -52.53 64.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 23.3 p-10 -84.77 -21.2 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.86 -27.41 58.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -91.91 115.68 28.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -109.45 -26.8 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.36 -18.78 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 68.33 50.31 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -103.69 -27.39 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -27.11 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -130.69 174.58 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 51.3 mt -119.12 140.26 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -134.42 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -56.12 -43.93 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.91 83.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.87 -42.34 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.19 -39.92 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.3 -34.31 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.57 -47.7 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 139' ' ' ASP . 77.6 t80 -59.92 -30.43 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 9.0 mmt -83.08 -27.09 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -79.62 59.73 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.46 70.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 24.7 t -64.11 -30.92 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.4 t 64.6 33.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.84 94.8 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.1 p -111.26 -41.12 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.38 91.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -151.41 31.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.16 -64.85 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.2 103.07 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.0 p -90.91 100.85 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -98.77 147.1 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -95.25 -80.84 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.82 111.54 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.27 -176.2 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.51 -32.37 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -63.61 -28.56 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -60.33 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.2 mt -76.11 -35.11 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -61.09 -32.52 72.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.8 -34.39 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.7 mt -69.68 -32.63 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.88 -28.89 63.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.14 -52.38 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.5 ptp -57.15 -43.64 82.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.2 -31.79 67.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 174.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -114.99 -48.1 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -113.51 10.99 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.39 58.76 4.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -96.3 -28.69 14.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.04 -15.74 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -134.28 154.74 51.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.9 mt -129.73 141.9 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -135.05 -175.78 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.75 -54.66 10.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.69 -25.38 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.65 -34.88 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -67.63 -28.39 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.0 mt -74.58 -31.05 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.7 ttp -64.05 -55.31 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -56.94 -30.48 64.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.28 87.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -60.56 171.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.21 27.99 16.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -106.97 140.82 39.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.6 p -94.2 86.24 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.17 153.45 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -106.89 167.64 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.97 -30.77 69.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.08 -36.08 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 -29.82 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.99 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.32 -31.57 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.196 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.27 -30.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.75 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -41.92 92.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -30.04 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -59.92 -58.44 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.61 -24.44 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.38 -27.44 73.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.58 138.8 34.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -110.76 -40.51 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -86.87 -15.27 39.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 t30 68.21 53.32 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -95.44 -21.47 18.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.13 -27.12 6.51 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.413 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.25 174.22 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 38.2 mt -118.08 133.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.86 -167.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.75 -48.31 66.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.503 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -47.35 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.138 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -70.91 -45.22 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -60.35 -31.23 70.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -42.62 80.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.04 -39.87 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -59.37 -49.87 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.39 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.87 71.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.76 89.67 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.357 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.9 t -97.15 35.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.229 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.775 0.321 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 p -173.58 -43.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -67.87 -27.45 66.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.3 m 63.28 174.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 32.0 mmm -59.68 163.58 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -136.99 30.61 2.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -94.16 -34.61 12.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.61 -27.29 45.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -84.62 57.44 4.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.58 175.43 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.56 -177.36 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.459 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 87.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 p -95.63 -178.21 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -63.88 -18.83 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -34.85 79.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 111.047 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.29 61.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.65 -30.03 65.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.1 p -62.98 -31.54 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.22 -34.39 76.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.35 -29.62 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.75 -25.4 61.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -58.24 7.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 111.028 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.19 -44.1 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.89 88.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.2 106.19 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.05 -54.46 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -76.23 -29.73 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.2 -6.36 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.339 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -25.19 5.81 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.413 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 38.0 m-85 -132.94 160.77 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.427 HD12 HG23 ' A' ' 112' ' ' ILE . 32.1 mt -129.77 144.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -133.13 175.52 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.26 -44.47 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.1 -45.66 90.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -72.11 -36.43 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.2 tp -70.4 -43.31 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.368 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.15 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.338 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.0 mt -68.82 -52.66 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.2 ptm -61.24 -29.43 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.7 mt -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.53 -29.81 68.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.58 85.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.3 p -60.59 167.2 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -35.88 16.86 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.23 132.87 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.5 p -78.41 111.44 14.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.7 mm -102.4 134.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.8 p -93.42 179.73 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.41 -40.76 81.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -39.78 88.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.8 mt -73.52 -30.88 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.01 -30.7 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.07 -38.04 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 32.6 mmm -82.67 -28.31 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -57.57 -52.19 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -84.76 -18.75 34.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.12 -27.44 62.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -91.17 141.44 28.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -109.46 -40.47 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -87.59 -12.79 44.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 67.14 65.92 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -109.48 -29.83 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -20.23 8.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.661 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -128.08 165.28 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.335 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.05 144.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.9 p30 -134.61 -175.14 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.415 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 30.3 t80 -58.69 -44.45 90.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -60.03 -48.91 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -60.12 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.415 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 0.3 OUTLIER -67.1 -47.91 69.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.69 -39.46 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.29 -42.86 99.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.1 mmt -70.76 -40.35 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.69 73.04 9.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.69 66.98 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.04 -48.44 86.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.838 0.351 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.83 0.348 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t 69.14 -67.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -111.01 -35.79 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.11 141.39 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 30.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 59.09 31.07 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.34 -28.27 69.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.36 40.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -100.38 30.74 3.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.36 39.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.17 125.54 8.56 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 99.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 p -100.33 -178.92 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.17 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -25.97 64.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.99 -40.0 75.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.32 -27.25 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -57.36 -30.27 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.07 -39.31 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.46 -31.64 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.99 -27.73 62.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -62.1 -52.83 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ptm -54.5 -43.04 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.08 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.35 -38.61 80.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.72 154.95 36.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -54.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.54 4.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.491 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 62.75 2.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -97.93 -24.1 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.15 -22.47 6.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.84 149.41 51.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 28.3 mt -129.54 145.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -133.01 -179.7 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.46 -31.78 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.32 -58.99 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -32.46 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.19 -37.08 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -28.38 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 119' ' ' ILE . 43.0 mt -71.32 -55.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.1 ptm -59.48 -31.63 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 66.4 mt -73.05 -28.57 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.72 -30.48 70.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.61 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.8 p -59.06 149.52 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.32 30.49 8.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.644 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.27 -178.48 4.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.5 p -108.55 95.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -111.98 149.96 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.3 p -128.53 166.08 19.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -31.06 68.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -31.65 57.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 8.0 mt -65.25 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.09 -31.42 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.08 -41.0 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.03 -40.24 88.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -27.52 57.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -56.73 -61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.062 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -76.27 -18.86 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.07 -29.32 60.79 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -80.11 143.57 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.297 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -115.04 -34.41 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.56 25.06 10.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.218 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 43.0 54.46 4.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.581 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -90.33 -29.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.26 11.53 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.538 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -128.2 174.46 9.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.436 HG22 HD13 ' A' ' 148' ' ' ILE . 31.2 mt -125.58 138.49 54.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -134.28 -172.39 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -55.18 -44.79 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.237 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.18 -49.1 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.0 -43.85 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.27 -31.08 69.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.3 mp -71.6 -43.53 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.76 -39.92 61.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.02 -47.74 81.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.6 mmt -65.29 -43.85 89.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 75.09 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.83 75.79 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 22.8 t -85.53 56.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 111.055 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 154' ' ' LEU . 4.3 mt -71.45 -28.36 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.8 p -57.19 -29.99 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.62 -37.1 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.99 -32.1 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.7 t80 -66.95 -45.74 76.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -59.47 -31.01 68.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -45.5 92.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -69.01 -40.73 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.15 155.74 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -56.18 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -95.66 -7.54 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.365 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.78 64.02 0.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -103.41 -27.12 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 -14.34 7.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.774 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.9 158.87 38.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 117' ' ' LEU . 20.7 mt -129.69 143.39 41.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 172.66 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.18 -38.04 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -48.45 70.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.4 mt-10 -66.28 -45.49 80.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 112' ' ' ILE . 7.9 tp -63.89 -30.45 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -64.71 -28.46 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.7 mt -70.79 -56.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -28.91 68.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.21 -31.12 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.31 -31.02 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.35 -31.37 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.6 p -60.37 159.27 10.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.99 -49.94 20.22 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.94 152.51 23.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -96.28 94.55 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 128' ' ' ILE . 3.6 mp -80.6 148.78 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 p -104.24 163.48 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.17 -30.97 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -36.23 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -30.51 71.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.1 mt -72.56 -30.64 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -58.03 -31.24 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.23 -34.16 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.21 -37.41 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.436 ' HE1' ' O ' ' A' ' 112' ' ' ILE . 1.3 mmt -80.29 -30.59 38.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.48 -50.95 71.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -84.77 -19.87 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.64 -28.29 51.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.18 125.6 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.19 -23.36 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -91.7 8.79 35.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.454 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 42.97 37.71 1.2 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.9 0.381 . . . . 0.0 111.559 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.63 -27.55 15.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.03 -20.87 9.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.568 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -128.06 169.49 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 152' ' ' GLU . 34.4 mt -117.91 141.36 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -134.38 -171.08 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -55.02 -49.44 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.184 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.91 -45.09 87.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 148' ' ' ILE . 15.6 mt-10 -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -47.12 87.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 97' ' ' LEU . 1.2 mm? -59.6 -31.2 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -35.47 24.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -73.39 -42.48 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -32.21 65.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 16.0 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.769 0.319 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.96 -30.07 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 p -59.67 -35.23 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.86 -34.93 75.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.92 -31.05 40.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.1 -39.5 94.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -60.32 -31.68 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mmm -60.39 -36.86 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -74.71 -45.3 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 141.89 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' HG21 ' A' ' 119' ' ' ILE . 3.6 tptt -78.87 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.981 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -108.25 18.38 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 51.29 63.51 2.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 111.264 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -95.07 -27.5 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.54 -16.4 8.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.647 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 149' ' ' ASP . 89.2 m-85 -131.72 162.9 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.661 HG21 HD13 ' A' ' 117' ' ' LEU . 8.5 mt -129.71 135.77 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -132.97 178.59 6.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -33.25 70.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.01 -47.34 52.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -69.73 -32.86 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.661 HD13 HG21 ' A' ' 112' ' ' ILE . 6.4 tp -78.11 -30.73 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.71 ' HG3' HD13 ' A' ' 133' ' ' ILE . 1.5 mtpm? -62.73 -28.86 70.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.695 HG21 ' HD3' ' A' ' 106' ' ' LYS . 12.0 mt -70.59 -54.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ptm -59.0 -29.14 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.2 mt -72.46 -28.63 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.6 -30.1 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.06 -47.84 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.7 p -59.89 158.62 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.44 29.13 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 128' ' ' ILE . 14.6 mt-10 -99.7 151.25 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.9 p -93.23 85.36 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.0 mp -104.81 130.9 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.42 161.33 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -58.43 -29.49 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.82 -37.72 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.87 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 130' ' ' GLU . 15.9 mt -68.9 -30.84 48.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.1 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -82.38 -32.04 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.47 -27.43 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.5 mtp -88.29 -24.26 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -55.58 -43.2 75.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 26.4 p-10 -70.31 -19.6 63.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 156' ' ' PHE . . . -97.96 -25.54 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.557 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -88.21 122.65 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.77 -22.42 10.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -85.83 -11.88 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.179 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 63.64 31.44 14.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.86 -28.2 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.6 -22.24 8.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.57 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.31 175.61 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.5 mt -118.25 142.12 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p30 -134.44 169.07 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.885 ' O ' HD13 ' A' ' 154' ' ' LEU . 88.5 t80 -58.0 -25.2 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.3 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -58.69 4.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.99 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -75.9 -33.21 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.049 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.58 -28.29 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.2 mp -66.53 -43.44 85.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -72.65 -36.71 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.433 ' CD2' ' HA2' ' A' ' 140' ' ' GLY . 15.5 t80 -67.17 -33.9 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.6 mmt -74.32 -35.15 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.711 0.291 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 154' ' ' LEU . 4.1 mt -58.05 -30.27 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 14.8 p -70.72 -32.14 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.59 -46.42 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.01 -29.67 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.26 -36.68 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -38.55 89.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.04 -37.68 88.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.415 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.96 -38.57 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -78.82 146.27 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 119' ' ' ILE . 2.2 tptt -111.12 -35.38 5.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.85 -23.76 33.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.91 39.81 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 111.05 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -100.35 -23.97 14.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 119.02 24.47 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.695 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.0 m-85 -157.58 155.86 30.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' A' ' 104' ' ' PHE . 6.9 mt -129.55 135.15 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -132.96 -176.95 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -47.35 86.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.347 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.34 -46.77 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.122 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -44.89 70.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.589 HD23 ' CG2' ' A' ' 133' ' ' ILE . 32.2 tp -61.52 -33.13 73.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.754 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 106' ' ' LYS . 17.9 mt -74.68 -31.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 ttp -68.8 -44.41 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.0 mt -75.69 -29.39 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.65 -27.91 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.13 90.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.1 p -58.93 174.29 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.36 34.78 5.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 128' ' ' ILE . 49.8 mt-10 -106.61 171.11 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.3 p -106.07 48.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 126' ' ' GLU . 1.9 mp -67.69 150.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.6 p -111.86 169.63 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -60.86 -31.1 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.66 -37.05 85.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.07 -42.58 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.1 mt -62.49 -30.34 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.58 -35.18 78.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.0 -33.88 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.15 -35.57 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -33.57 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.5 -52.82 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -83.09 -24.84 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.02 -29.51 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.25 114.16 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -106.39 2.05 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.436 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.34 -19.29 13.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.51 35.63 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -96.4 -24.43 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.1 -23.77 7.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.619 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -128.33 177.98 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.06 140.42 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -134.35 161.5 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 67.0 t80 -52.57 -27.38 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -56.51 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 0.0 111.033 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -24.49 40.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -56.65 -43.93 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -59.8 -29.48 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.94 -27.58 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.49 -24.28 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.09 18.12 19.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.224 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.278 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 154' ' ' LEU . 18.8 mt -68.76 -31.21 70.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -68.23 -39.6 82.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.32 -36.68 78.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.54 -31.08 68.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -69.4 -32.9 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -70.15 -32.37 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -31.02 62.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.36 -41.79 27.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.54 123.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -53.3 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -76.12 -25.87 55.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.01 39.99 5.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.892 0.377 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -93.39 -21.26 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 0.45 8.16 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -144.67 158.05 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.1 mt -129.79 146.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -133.09 177.32 7.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 134' ' ' GLU . 5.8 mt -58.64 -29.89 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -51.61 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.7 OUTLIER -71.59 -24.26 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 136' ' ' LEU . 13.4 tp -79.3 -32.89 43.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.246 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 133' ' ' ILE . 1.2 ptmt -72.32 -29.1 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 116' ' ' GLU . 12.2 mt -71.96 -48.37 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 ptm -62.72 -29.42 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 128' ' ' ILE . 6.0 tp -71.91 -27.28 62.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -56.0 -28.57 57.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.08 -28.8 64.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 121' ' ' LEU . 32.9 p -58.64 166.78 1.7 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.02 -28.24 29.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 128' ' ' ILE . 7.5 pt-20 -87.55 156.09 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.1 p -87.47 124.63 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.576 HD11 ' OE2' ' A' ' 126' ' ' GLU . 27.2 mm -112.31 138.34 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 75.9 p -95.72 159.27 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 15.5 mt-10 -59.17 -30.76 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.25 -32.52 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -30.3 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 118' ' ' LYS . 18.6 mt -74.69 -23.05 17.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.579 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.3 mm-40 -54.32 -41.96 69.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.001 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.51 -28.94 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.443 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -59.05 -40.38 84.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.657 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -83.02 -29.6 28.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -58.88 -53.46 58.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -75.5 -24.05 56.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.98 -27.68 52.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.04 116.18 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -109.26 -24.77 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.49 -21.13 32.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 67.31 52.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -107.99 -23.64 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -26.63 6.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -132.5 175.38 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.657 HD12 ' HE2' ' A' ' 137' ' ' MET . 13.5 mt -118.06 141.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -134.31 -178.47 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.85 -42.11 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -43.05 98.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.17 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.62 -34.81 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.89 -36.17 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.49 -48.58 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.24 -35.97 74.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -84.17 -12.55 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.3 mt -56.53 -30.84 63.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.9 p -60.96 -39.67 90.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.26 -38.72 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 97' ' ' LEU . 4.6 mt -63.58 -36.87 85.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -71.92 -32.43 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 108' ' ' ALA . 22.2 mmm180 -61.41 -52.62 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.022 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.8 ptp -55.86 -44.32 77.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.424 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.2 m-85 -57.91 -37.8 74.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.01 156.15 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.89 -56.12 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.49 -6.36 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 102' ' ' ARG . . . 63.18 59.71 1.26 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -97.6 -24.16 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 -19.75 6.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.84 155.65 45.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.1 mt -129.76 141.15 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -132.96 -177.72 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 134' ' ' GLU . 7.5 mt -58.09 -43.2 86.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.94 -54.17 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -60.52 -33.52 72.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 133' ' ' ILE . 9.1 tp -79.57 -29.28 41.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 133' ' ' ILE . 2.9 ttpt -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.5 mt -72.29 -53.26 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ptm -58.72 -30.02 67.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -75.82 -32.64 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.0 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.3 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.7 p -60.35 178.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.66 -31.2 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.47 131.31 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -79.15 91.43 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 121' ' ' LEU . 29.4 mm -81.76 155.72 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 128' ' ' ILE . 29.2 p -104.91 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.1 tt0 -64.93 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -47.52 74.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.81 -35.98 79.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 121' ' ' LEU . 13.7 mt -73.8 -29.82 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.518 ' CG ' HD21 ' A' ' 114' ' ' LEU . 18.7 mt-10 -58.88 -25.9 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -57.31 -47.46 81.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.04 -31.02 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.69 -58.06 8.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -80.15 -18.1 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.09 -27.18 62.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -96.66 131.68 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -113.42 -28.96 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -90.62 -2.91 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -77.59 -29.13 51.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.89 -26.42 7.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -128.24 178.64 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.08 149.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.078 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.48 -172.78 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -64.18 -46.5 83.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -47.66 83.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.91 -45.53 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.441 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.49 -31.71 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.58 -36.34 17.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.97 -30.08 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -46.95 9.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.707 ' OE1' HD12 ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 ' HG2' ' A' ' 157' ' ' MET . 28.5 mt -72.99 -30.61 63.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -59.69 -39.38 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.06 -32.82 30.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.707 HD12 ' OE1' ' A' ' 96' ' ' GLU . 8.4 mt -72.95 -30.68 64.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.06 -32.48 73.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -33.53 75.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.9 mtt -59.99 -41.08 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -64.13 -39.33 93.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.43 134.82 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE2' HG22 ' A' ' 119' ' ' ILE . 7.4 mmmt -88.94 -58.55 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 38.0 p30 -85.44 -15.02 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.267 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.73 75.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.882 0.372 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.78 -21.62 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -25.69 5.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -129.82 168.07 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.57 HG21 HD13 ' A' ' 117' ' ' LEU . 8.9 mt -129.7 143.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -133.02 175.83 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 133' ' ' ILE . 12.7 tp -60.67 -37.83 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.14 -55.3 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -61.8 -42.52 99.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 121' ' ' LEU . 9.2 tp -67.03 -31.34 71.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.65 ' HG2' HD13 ' A' ' 133' ' ' ILE . 3.8 mtpm? -64.49 -27.72 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.529 HG22 ' HE2' ' A' ' 106' ' ' LYS . 21.1 mt -71.71 -51.69 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 ptm -62.73 -29.2 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -66.23 -32.46 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -60.0 -31.4 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.3 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -60.98 143.11 55.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.47 -34.19 73.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.28 143.13 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 p -85.4 111.66 20.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mm -110.81 138.65 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -91.25 173.61 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.777 ' HA ' HD12 ' A' ' 133' ' ' ILE . 16.0 mt-10 -67.7 -31.46 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -37.36 72.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.9 mt -69.41 -32.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.35 -31.87 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.409 ' HE3' HD12 ' A' ' 148' ' ' ILE . 1.4 ttm -87.71 -32.55 19.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.37 -43.89 96.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -84.92 -18.66 33.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.387 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.78 -27.58 50.03 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -89.31 138.87 31.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -110.44 -41.61 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -88.28 -14.55 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 66.81 71.87 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.07 -23.54 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.99 -26.91 6.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -131.24 174.36 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.409 HD12 ' HE3' ' A' ' 137' ' ' MET . 14.2 mt -118.52 148.13 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -134.38 -178.07 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.94 -45.57 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.73 -47.54 85.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.09 -45.6 73.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.4 -33.25 73.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.16 -47.53 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.9 -37.31 78.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.26 -45.41 88.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.422 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -74.27 -31.47 62.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.792 0.33 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 157' ' ' MET . 4.3 mt -64.23 -27.78 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -30.81 65.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -38.34 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.8 mm? -58.88 -37.43 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 112' ' ' ILE . 84.2 t80 -68.85 -42.31 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -59.29 -30.23 68.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -39.32 93.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.82 -43.38 36.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.64 115.19 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -67.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 116' ' ' GLU . 8.2 p30 -76.31 -20.81 56.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.82 72.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.224 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.4 -16.76 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.04 -24.27 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.87 171.79 12.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 101' ' ' PHE . 35.2 mt -129.77 138.74 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.04 171.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -44.28 92.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 107' ' ' ASN . 26.3 tt0 -71.55 -36.51 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.437 HD23 HG22 ' A' ' 133' ' ' ILE . 12.8 tp -68.56 -30.72 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -67.18 -26.95 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.2 mt -70.19 -46.13 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -64.86 -27.82 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 128' ' ' ILE . 4.6 tt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.75 -31.34 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.04 83.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.9 p -60.32 147.5 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.58 28.5 13.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.76 173.7 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.3 p -102.81 77.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.717 ' HB ' HD21 ' A' ' 121' ' ' LEU . 24.2 mt -110.33 149.34 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 52.0 p -109.03 -174.04 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.868 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -75.9 -31.47 59.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -31.19 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -36.43 79.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.9 mt -63.6 -30.35 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.95 -30.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.49 -33.24 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -32.57 72.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -31.08 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -50.62 72.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -84.74 -22.38 29.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.83 -27.34 58.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 126.67 38.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -109.99 -29.73 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.988 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.58 -20.46 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 144' ' ' ASN . 2.6 t30 67.58 36.77 3.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -89.31 -20.78 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.29 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -130.76 171.04 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -118.09 140.37 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -134.26 -172.27 2.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.691 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 13.6 t80 -57.09 -50.94 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 154' ' ' LEU . 12.3 m-20 -56.22 -38.76 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.239 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -80.06 -36.14 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.069 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.42 -36.71 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.691 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -58.51 -35.29 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.78 -36.11 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -59.26 -30.0 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -102.16 24.15 10.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.0 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.393 -179.854 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.779 0.324 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.45 -28.96 63.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -58.06 -30.3 66.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -41.76 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.51 -45.13 63.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.98 -42.95 95.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -32.56 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.65 -42.6 81.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.12 -34.59 77.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 149.25 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.402 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -91.62 -57.69 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -103.1 8.73 38.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 65.33 1.53 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.29 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -103.87 -25.71 12.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.33 6.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.624 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 25.7 m-85 -129.7 153.25 48.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.597 HG21 HD13 ' A' ' 117' ' ' LEU . 1.9 mp -129.72 148.16 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.98 178.32 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.504 HD12 ' SD ' ' A' ' 137' ' ' MET . 3.9 mp -59.04 -44.72 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.2 -52.74 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.02 -45.79 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 112' ' ' ILE . 8.4 tp -63.34 -33.13 74.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.402 HG21 ' HD3' ' A' ' 106' ' ' LYS . 30.6 mt -69.67 -54.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -57.03 -27.3 61.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 118' ' ' LYS . 12.1 mt -72.29 -30.72 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -62.9 -30.91 71.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.43 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.5 p -63.33 163.78 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.54 -36.32 8.07 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.52 153.52 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.6 p -89.78 110.82 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.477 HG13 HD22 ' A' ' 121' ' ' LEU . 21.6 mm -85.44 140.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.7 p -78.69 153.19 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.61 -31.13 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.18 -35.13 80.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.46 -33.3 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 121' ' ' LEU . 22.3 mt -76.28 -30.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 114' ' ' LEU . 11.5 mt-10 -74.4 -32.92 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.42 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.71 -30.67 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.504 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -79.48 -31.66 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -67.23 -60.61 2.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -68.72 -18.38 64.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.74 -26.95 33.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.577 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.92 112.58 24.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -113.31 -17.56 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -85.79 -13.21 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 64.54 31.16 12.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.955 0.407 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -90.61 -27.37 19.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.69 -23.95 8.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.551 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -128.33 -178.24 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 137' ' ' MET . 15.4 mt -117.91 143.74 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 20.5 p30 -134.53 173.52 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.847 ' O ' HD13 ' A' ' 154' ' ' LEU . 12.2 t80 -61.37 -25.69 67.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.26 -57.7 7.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.24 -35.35 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.61 -29.32 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.1 mp -66.45 -33.54 75.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -85.18 -39.84 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.09 -44.91 94.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.769 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -30.89 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 24.6 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 154' ' ' LEU . 7.4 mt -55.73 -29.11 58.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.6 p -58.71 -30.48 67.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.9 -30.09 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.69 -31.38 28.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.08 -46.86 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -30.63 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 mtt -66.45 -44.21 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.36 -45.33 93.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.75 131.81 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.622 ' HG3' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -75.04 -65.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -86.6 -10.55 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.27 74.9 0.39 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.987 0.422 . . . . 0.0 111.035 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.94 -21.86 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.24 -23.31 6.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 91.9 m-85 -129.88 162.97 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.65 145.16 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -137.43 -175.5 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 134' ' ' GLU . 3.9 mm? -59.55 -38.39 80.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -67.2 -50.68 60.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.3 tp10 -63.91 -34.49 78.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 136' ' ' LEU . 8.1 tp -78.87 -29.9 44.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.29 -29.82 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.7 mt -70.23 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 121' ' ' LEU . 3.5 ppp? -55.02 -31.63 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -76.21 -30.18 57.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.001 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.86 84.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.2 p -59.84 179.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.62 -25.17 6.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.22 142.04 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -82.6 86.78 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.591 HG21 HD21 ' A' ' 121' ' ' LEU . 4.3 mt -98.79 133.94 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -87.63 178.88 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 133' ' ' ILE . 19.7 tt0 -72.04 -31.58 66.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.31 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.826 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.4 mt -75.71 -28.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.7 mt-10 -65.18 -51.63 59.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -29.3 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.061 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.19 -34.66 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.0 ttm -85.0 -17.94 36.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -62.61 1.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.23 -21.25 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.93 -27.03 42.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -96.5 133.88 40.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 111.019 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -134.38 25.21 3.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.64 -5.45 9.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.419 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.83 29.58 19.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.851 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -105.43 -18.15 14.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.25 26.64 17.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -156.51 166.65 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.1 mt -120.13 143.98 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.8 p30 -134.45 -175.88 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD21 ' A' ' 154' ' ' LEU . 8.9 t80 -59.25 -43.41 92.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -42.81 99.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.59 -36.38 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.53 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 97' ' ' LEU . 3.5 mm? -62.2 -53.94 48.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.15 -42.33 94.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.31 -44.03 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.441 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 79.3 mttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.529 ' OE2' HD11 ' A' ' 100' ' ' LEU . 1.5 pp20? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.675 0.274 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 157' ' ' MET . 12.6 mt -48.98 -28.1 3.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -59.66 -32.23 70.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.63 -33.75 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD11 ' OE2' ' A' ' 96' ' ' GLU . 5.1 mt -74.27 -29.73 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.68 -27.41 65.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.05 -54.24 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.097 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.0 ptm -55.36 -43.02 74.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.14 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.662 ' HB3' HD13 ' A' ' 112' ' ' ILE . 4.9 m-85 -56.74 -30.87 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.41 151.4 30.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.59 -53.89 3.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -95.89 -8.04 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.3 52.04 2.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -91.27 -22.78 20.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.06 -20.2 6.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.9 m-85 -129.92 163.25 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 104' ' ' PHE . 22.5 mt -129.68 145.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.11 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.92 -46.18 88.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.88 -53.48 53.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.809 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -62.24 -31.15 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 133' ' ' ILE . 18.3 tp -78.9 -30.37 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.89 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 116' ' ' GLU . 8.7 mt -67.83 -48.4 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.7 ptm -59.6 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.565 HD12 HG13 ' A' ' 128' ' ' ILE . 2.2 mm? -72.32 -29.98 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -57.92 -30.81 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.19 69.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.4 p -65.48 164.87 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.27 -44.35 8.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.455 ' OE1' HD11 ' A' ' 128' ' ' ILE . 13.4 pt-20 -70.56 152.63 43.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.731 0.301 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.6 p -97.33 102.87 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.565 HG13 HD12 ' A' ' 121' ' ' LEU . 30.6 mm -86.18 147.13 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.4 p -93.22 166.49 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.31 -31.34 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -36.56 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -39.58 79.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.538 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.2 mm -73.85 -29.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -31.01 68.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.97 -33.09 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -32.47 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.417 ' HE2' HG13 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -88.04 -31.76 19.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -60.6 -48.55 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -84.14 -17.4 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.365 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.65 -27.02 52.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.52 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -89.75 126.58 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -112.95 -33.29 6.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -87.75 -11.4 48.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 66.11 60.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -109.8 -28.43 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.33 10.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.562 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -128.23 167.66 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.417 HG13 ' HE2' ' A' ' 137' ' ' MET . 37.3 mt -118.28 146.37 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 5.6 p-10 -134.56 -173.77 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 18.3 t80 -57.87 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.17 -48.55 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -70.24 -40.16 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.09 -41.16 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -37.51 85.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.41 -37.34 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.46 -47.88 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.731 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.67 -38.82 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.7 tttp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.806 0.336 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.35 -29.7 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 t -59.87 -30.28 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.3 -43.42 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.05 -33.94 72.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 46.9 t80 -70.21 -40.68 74.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -58.94 -30.34 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.4 mtt -73.21 -31.52 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.03 -33.0 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.28 154.14 42.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -97.5 -47.5 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -105.06 -4.49 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.86 68.29 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.87 -26.75 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.08 -20.84 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.67 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 11.4 m-85 -129.73 151.92 49.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.9 mt -129.86 149.51 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -134.04 -179.14 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.84 -31.19 69.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.64 -56.6 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.22 -32.96 74.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.29 -28.7 63.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -66.12 -27.02 67.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.46 HG21 ' HD3' ' A' ' 106' ' ' LYS . 42.4 mt -71.81 -33.75 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.217 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.56 -29.41 33.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.991 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -75.81 -40.34 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.08 -46.31 89.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.66 72.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.2 p -75.82 148.36 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.53 32.54 6.41 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.29 172.35 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.5 p -102.99 72.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mt -112.23 121.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.43 166.54 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.17 -39.38 82.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.27 -31.01 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -30.08 71.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 121' ' ' LEU . 31.6 mt -69.24 -35.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.68 -35.37 79.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.82 -31.77 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.64 -50.01 75.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -27.14 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -56.68 -63.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -75.39 -19.0 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.265 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.86 -27.23 57.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.404 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -89.53 152.72 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -124.43 -41.25 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -91.79 -0.38 57.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.339 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 35.93 19.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.75 -30.34 59.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.53 11.08 20.45 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.678 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -155.17 176.94 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 43.0 mt -127.3 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 14.1 p-10 -134.27 -173.57 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.22 -41.26 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.54 -51.2 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.42 -40.91 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CE1' ' HE1' ' A' ' 157' ' ' MET . 21.6 t80 -59.36 -34.75 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.81 -50.76 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.02 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -59.41 -35.3 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.422 ' HE1' ' CE1' ' A' ' 153' ' ' PHE . 3.5 tpp -86.79 -22.91 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.476 HD13 HD13 ' A' ' 154' ' ' LEU . 16.1 mt -58.8 -29.85 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.44 -43.74 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -35.72 75.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 35.4 t80 -72.51 -27.39 62.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -51.67 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.266 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.6 ptm -53.97 -42.41 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.107 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.737 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.9 m-85 -59.64 -30.05 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.92 137.93 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -84.19 -52.77 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -98.2 -9.9 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.14 63.49 0.66 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -101.83 -21.75 14.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.43 6.85 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.4 m-85 -129.72 159.03 37.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.9 mt -129.63 142.82 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -137.49 174.01 11.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.649 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.5 mm? -58.87 -31.07 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.44 -52.6 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.2 mt-10 -71.81 -26.99 62.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.631 HD22 ' SD ' ' A' ' 137' ' ' MET . 12.5 tp -77.38 -36.34 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.27 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -66.23 -27.77 68.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.5 mt -72.52 -47.26 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.401 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.4 ptm -68.4 -30.78 69.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 HG12 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -75.83 -30.05 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.03 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.07 -29.9 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -58.8 179.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.37 4.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.9 138.6 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 53.4 p -78.98 94.39 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 31.6 mm -106.06 135.13 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 m -88.39 163.14 16.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.15 76.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.94 -32.69 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.99 -29.96 70.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.566 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.1 mt -75.86 -29.99 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.595 ' N ' HD11 ' A' ' 114' ' ' LEU . 1.6 mt-10 -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.41 -35.48 81.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -31.9 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.649 ' HG3' HD22 ' A' ' 114' ' ' LEU . 47.0 mmm -88.14 -24.46 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -54.71 -49.78 69.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.153 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -84.86 -18.89 33.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.367 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.04 -27.04 46.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -97.47 121.12 39.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -108.79 17.08 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -117.17 -15.26 10.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.292 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.28 29.75 11.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -96.41 -23.94 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.84 19.64 11.71 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.669 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -156.93 164.8 37.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.42 146.35 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.5 p30 -134.38 -174.92 3.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.992 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.9 -46.99 87.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.99 -48.23 82.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.1 -42.11 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' A' ' 157' ' ' MET . 61.0 t80 -61.96 -35.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.476 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.3 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.84 -42.95 94.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE2' ' A' ' 153' ' ' PHE . 43.2 mmm -71.87 -39.84 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.7 tptp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.733 HD21 ' HG2' ' A' ' 157' ' ' MET . 61.9 mt -59.47 -29.78 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 p -58.55 -30.14 66.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.52 -35.27 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 97' ' ' LEU . 51.5 mt -66.03 -32.5 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -72.69 -29.73 63.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -63.36 -57.04 11.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -58.88 -44.49 91.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -33.13 70.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.33 118.7 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.46 ' NZ ' HG22 ' A' ' 119' ' ' ILE . 3.6 tptt -68.43 -44.59 74.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -91.42 -25.92 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.33 39.8 6.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.55 -13.85 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.01 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.69 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 21.4 m-85 -138.8 152.98 48.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.73 145.06 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -132.93 -176.21 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -60.37 -28.3 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.5 -64.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.4 mt-10 -58.24 -23.96 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.585 HD22 ' SD ' ' A' ' 137' ' ' MET . 24.3 tp -78.94 -46.29 18.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -61.28 -30.12 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -68.54 -32.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.33 -38.0 87.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.14 -29.35 57.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.45 -30.81 65.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.71 69.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.5 p -75.14 170.97 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.43 -27.87 41.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.63 141.13 55.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.4 p -104.67 98.55 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.1 mm -99.88 129.52 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 t -74.2 160.26 31.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -33.17 74.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.74 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.4 -29.74 59.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 114' ' ' LEU . 35.3 mm -64.3 -32.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.403 ' HG2' HD11 ' A' ' 114' ' ' LEU . 1.3 mt-10 -65.01 -43.61 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.14 -31.33 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -42.99 90.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.585 ' SD ' HD22 ' A' ' 117' ' ' LEU . 33.5 mmm -87.82 -22.67 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -84.85 -18.58 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.95 -28.35 54.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.479 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -72.87 133.08 44.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -120.37 -33.85 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.334 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -95.82 16.23 18.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.311 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 43.08 31.66 0.37 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 111.518 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.0 -29.57 26.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.97 -19.12 11.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -128.05 177.72 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 152' ' ' GLU . 29.2 mt -124.03 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.9 p30 -134.32 -169.25 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -55.41 -51.37 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -46.83 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 148' ' ' ILE . 6.0 mt-10 -67.14 -43.68 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.69 -30.55 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.27 -52.46 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.3 -42.66 87.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -59.2 -37.36 77.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.733 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.16 -24.51 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.839 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.668 0.27 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -51.98 -27.01 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.101 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.9 p -58.48 -31.14 67.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.79 -36.65 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.5 -30.42 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -72.11 -22.75 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -52.67 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.168 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 ptm -54.03 -42.39 69.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.71 -31.83 66.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.07 127.15 41.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.58 -67.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -63.16 -23.91 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.18 49.07 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.78 -20.59 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.02 -22.27 6.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.601 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -130.14 153.51 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 117' ' ' LEU . 38.0 mt -129.64 149.51 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -132.94 179.34 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 114' ' ' LEU . 7.0 mp -58.81 -27.35 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.726 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -54.72 -30.58 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 121' ' ' LEU . 6.8 tp -79.1 -30.28 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.0 mt -67.67 -57.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.87 -29.24 64.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.912 HD13 HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -76.11 -33.35 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.99 -29.07 69.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.15 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -60.32 173.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -85.68 -29.41 26.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.0 131.63 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 p -81.14 104.82 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.525 HG21 ' CD1' ' A' ' 133' ' ' ILE . 24.6 mm -101.34 152.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 167.4 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.29 -30.53 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -32.72 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -41.88 64.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 121' ' ' LEU . 34.8 mm -65.46 -26.93 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -58.98 -31.32 68.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.59 -38.46 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.68 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.646 ' SD ' HD22 ' A' ' 117' ' ' LEU . 69.5 mmm -74.85 -28.97 60.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -56.62 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.4 -20.07 44.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.47 52.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -82.21 113.46 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.24 -26.76 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -84.85 -17.65 37.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.27 31.08 8.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -92.44 -24.72 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.12 -20.19 8.56 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.643 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -128.2 173.16 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.7 mt -118.18 150.38 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.59 -175.81 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -59.47 -42.15 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -49.67 74.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.45 -41.1 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.19 -41.31 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -64.81 -50.03 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -46.94 77.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -60.24 -31.35 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 45.4 mmm -103.88 23.65 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.38 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.6 -28.92 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -58.79 -30.91 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.31 -38.8 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.97 -33.25 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -63.64 -39.45 94.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.53 -29.56 69.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmm -58.24 -36.7 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.98 -31.22 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.38 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -101.16 -62.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.4 p30 -83.88 -18.29 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.66 47.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.88 -18.01 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -22.07 6.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.607 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.2 m-85 -130.75 165.79 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.0 mt -129.63 143.91 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -133.15 174.4 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.21 63.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -39.73 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 119' ' ' ILE . 33.6 mt-10 -71.82 -38.17 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 121' ' ' LEU . 17.9 mt -68.88 -38.22 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -60.24 -31.11 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 116' ' ' GLU . 13.3 mt -73.63 -58.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -58.94 -29.68 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.706 HD22 HG13 ' A' ' 128' ' ' ILE . 17.7 mt -75.53 -30.27 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.67 -30.16 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.06 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -59.94 172.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.62 -40.28 6.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 130.94 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -71.06 105.04 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.706 HG13 HD22 ' A' ' 121' ' ' LEU . 26.7 mm -95.13 118.22 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -176.93 5.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.1 mm-40 -62.52 -44.25 96.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -33.73 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.651 ' HB3' HG23 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -64.15 -39.43 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.0 mt -68.6 -30.72 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.77 -34.13 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.51 -33.62 74.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.472 HD22 HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -65.56 -38.57 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -28.36 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -57.82 -51.95 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -84.88 -19.21 32.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.321 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.22 -39.94 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 141.63 38.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -115.91 -39.18 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.5 p30 -96.88 -3.68 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.2 t30 62.35 61.73 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.983 0.42 . . . . 0.0 110.764 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -101.09 -24.35 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.11 -27.56 6.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -134.9 -178.86 5.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.2 mt -127.53 146.69 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.2 p30 -134.04 177.33 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.541 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.3 t80 -54.95 -52.49 62.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.094 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -53.21 -40.07 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.24 -31.97 38.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 157' ' ' MET . 1.8 t80 -72.01 -31.55 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 21.5 mt -57.86 -35.12 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.8 -44.3 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.44 -41.16 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -77.53 -33.12 54.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.6 tttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.19 84.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -35.12 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.82 -37.2 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -60.05 -35.52 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.51 -33.29 74.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.25 136.29 49.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.38 -64.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -96.04 14.82 22.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.269 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.81 60.14 3.99 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 17.03 22.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 64.84 17.17 62.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.76 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 78.4 m-85 -157.2 160.94 39.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.4 mt -131.75 137.91 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.11 178.89 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.4 OUTLIER -61.41 -29.55 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -81.79 -60.94 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.1 mt-10 -55.06 -28.2 50.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 121' ' ' LEU . 29.2 tp -79.37 -29.94 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 133' ' ' ILE . 2.8 tmtt? -75.49 -29.8 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.8 mt -69.61 -33.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' HD22 ' A' ' 121' ' ' LEU . 3.4 ptm -79.03 -27.19 43.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.017 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.771 HD12 HG13 ' A' ' 128' ' ' ILE . 1.8 mm? -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.75 -29.48 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -70.24 160.92 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.86 -39.89 12.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.21 160.93 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -99.77 117.34 33.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.771 HG13 HD12 ' A' ' 121' ' ' LEU . 24.2 mm -110.98 140.11 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 p -98.82 166.59 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.5 mt-10 -60.36 -28.7 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -47.55 81.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -40.03 93.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 130' ' ' GLU . 4.6 mt -76.05 -27.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.702 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -61.15 -53.23 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.924 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.87 -29.22 69.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.05 -31.74 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -59.26 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.05 -18.67 42.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.24 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.71 -27.75 58.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.69 141.5 28.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -116.05 -39.22 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -85.79 -17.68 35.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.8 t30 68.04 69.4 0.33 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.19 -22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.15 -26.24 6.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -135.7 177.68 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.91 153.79 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -134.44 -173.55 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 154' ' ' LEU . 27.8 t80 -65.14 -56.64 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.39 -31.07 54.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.073 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.04 -51.08 9.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.75 -31.87 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 150' ' ' TYR . 6.8 mp -60.26 -45.48 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -74.88 -39.4 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -59.58 -29.44 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.93 21.58 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.331 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.727 0.299 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.19 -30.68 66.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -65.67 -31.03 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.51 -50.32 70.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.68 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.16 -41.14 92.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -60.73 -31.57 70.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtp -69.95 -32.95 71.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.425 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.4 m-85 -74.36 -33.4 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -82.39 146.07 29.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HE2' HD13 ' A' ' 119' ' ' ILE . 4.5 tptt -102.91 -41.0 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -84.57 -20.26 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.84 40.66 7.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.386 . . . . 0.0 111.03 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.46 -25.72 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.98 -10.97 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.753 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -129.92 158.77 38.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.425 HD13 ' HB3' ' A' ' 104' ' ' PHE . 23.0 mt -129.94 147.25 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -135.11 -175.27 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.3 -32.81 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.5 -57.03 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.38 -26.66 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 136' ' ' LEU . 47.7 tp -80.47 -30.4 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.97 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -73.27 -46.71 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 120' ' ' MET . 2.7 pp -57.65 -42.58 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.28 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.724 ' N ' HD12 ' A' ' 119' ' ' ILE . 10.0 ptm -67.02 -29.95 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.2 mm? -74.15 -31.58 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -60.39 -30.03 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.04 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.3 p -58.77 158.14 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.16 17.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.48 144.92 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.5 p -69.69 110.02 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 121' ' ' LEU . 24.8 mm -85.51 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 132' ' ' ASP . 11.8 t -106.19 157.48 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.1 mt-10 -60.46 -32.05 71.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -35.42 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.518 ' H ' HG23 ' A' ' 129' ' ' THR . 0.5 OUTLIER -76.02 -45.94 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 130' ' ' GLU . 6.3 mt -62.67 -30.16 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.9 -32.96 65.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.99 -27.96 63.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.577 ' CB ' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.15 -37.79 72.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -26.88 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -57.02 -52.53 64.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 23.3 p-10 -84.77 -21.2 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.86 -27.41 58.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -91.91 115.68 28.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -109.45 -26.8 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.36 -18.78 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 68.33 50.31 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -103.69 -27.39 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -27.11 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -130.69 174.58 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 51.3 mt -119.12 140.26 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -134.42 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 154' ' ' LEU . 33.1 t80 -56.12 -43.93 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.91 83.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.87 -42.34 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.19 -39.92 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 150' ' ' TYR . 5.1 mp -60.3 -34.31 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.57 -47.7 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 139' ' ' ASP . 77.6 t80 -59.92 -30.43 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 9.0 mmt -83.08 -27.09 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.1 mttm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 100' ' ' LEU . 53.8 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 154' ' ' LEU . 17.2 mt -76.11 -35.11 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -61.09 -32.52 72.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.8 -34.39 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 96' ' ' GLU . 1.7 mt -69.68 -32.63 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.88 -28.89 63.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.14 -52.38 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.5 ptp -57.15 -43.64 82.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -58.2 -31.79 67.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 174.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -114.99 -48.1 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -113.51 10.99 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.39 58.76 4.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -96.3 -28.69 14.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.04 -15.74 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -134.28 154.74 51.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 104' ' ' PHE . 7.9 mt -129.73 141.9 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -135.05 -175.78 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.48 HD21 ' HG3' ' A' ' 134' ' ' GLU . 0.9 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.75 -54.66 10.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 119' ' ' ILE . 16.1 mt-10 -71.69 -25.38 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.65 -34.88 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -67.63 -28.39 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 116' ' ' GLU . 19.0 mt -74.58 -31.05 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 121' ' ' LEU . 3.7 ttp -64.05 -55.31 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.42 HD12 ' CE ' ' A' ' 120' ' ' MET . 8.9 mp -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -56.94 -30.48 64.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.28 87.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -60.56 171.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.21 27.99 16.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' A' ' 128' ' ' ILE . 42.1 mt-10 -106.97 140.82 39.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.6 p -94.2 86.24 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.7 mp -100.17 153.45 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -106.89 167.64 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.97 -30.77 69.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.08 -36.08 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 -29.82 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.99 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.32 -31.57 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.196 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' HD21 ' A' ' 114' ' ' LEU . 43.8 mt-10 -68.27 -30.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.75 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -41.92 92.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -30.04 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -59.92 -58.44 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.61 -24.44 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.38 -27.44 73.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.58 138.8 34.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -110.76 -40.51 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -86.87 -15.27 39.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 t30 68.21 53.32 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -95.44 -21.47 18.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.13 -27.12 6.51 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.413 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.25 174.22 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 152' ' ' GLU . 38.2 mt -118.08 133.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.86 -167.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.75 -48.31 66.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.503 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -47.35 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.138 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.1 mp0 -70.91 -45.22 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -60.35 -31.23 70.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -67.96 -42.62 80.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.04 -39.87 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -59.37 -49.87 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.39 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.677 0.275 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 154' ' ' LEU . 6.1 mt -57.65 -30.03 65.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.1 p -62.98 -31.54 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.22 -34.39 76.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.35 -29.62 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.75 -25.4 61.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -58.24 7.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 111.028 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.19 -44.1 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.89 88.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.2 106.19 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -62.05 -54.46 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -76.23 -29.73 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.2 -6.36 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.339 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -25.19 5.81 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 38.0 m-85 -132.94 160.77 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 117' ' ' LEU . 32.1 mt -129.77 144.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -133.13 175.52 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.26 -44.47 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.1 -45.66 90.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.6 mt-10 -72.11 -36.43 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 112' ' ' ILE . 8.2 tp -70.4 -43.31 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.368 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.15 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.338 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 116' ' ' GLU . 17.0 mt -68.82 -52.66 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.2 ptm -61.24 -29.43 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 128' ' ' ILE . 2.7 mt -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.53 -29.81 68.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.58 85.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.3 p -60.59 167.2 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -35.88 16.86 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.23 132.87 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.5 p -78.41 111.44 14.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.614 HG13 HD22 ' A' ' 121' ' ' LEU . 24.7 mm -102.4 134.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.8 p -93.42 179.73 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 9.1 mt-10 -68.41 -40.76 81.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -39.78 88.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 136' ' ' LEU . 1.8 m-20 -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -73.52 -30.88 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.01 -30.7 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.7 mp -60.07 -38.04 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 117' ' ' LEU . 32.6 mmm -82.67 -28.31 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -57.57 -52.19 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -84.76 -18.75 34.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.12 -27.44 62.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -91.17 141.44 28.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -109.46 -40.47 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -87.59 -12.79 44.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 67.14 65.92 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -109.48 -29.83 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -20.23 8.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.661 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -128.08 165.28 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.335 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.05 144.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.9 p30 -134.61 -175.14 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.402 ' CE1' HD23 ' A' ' 154' ' ' LEU . 30.3 t80 -58.69 -44.45 90.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -60.03 -48.91 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -60.12 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -67.1 -47.91 69.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.69 -39.46 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.29 -42.86 99.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.1 mmt -70.76 -40.35 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.706 0.288 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 97' ' ' LEU . 15.2 mt -58.32 -27.25 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -57.36 -30.27 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.07 -39.31 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.46 -31.64 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.99 -27.73 62.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -62.1 -52.83 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ptm -54.5 -43.04 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.08 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.35 -38.61 80.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.72 154.95 36.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -54.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.54 4.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.491 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 62.75 2.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -97.93 -24.1 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.15 -22.47 6.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.84 149.41 51.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 28.3 mt -129.54 145.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -133.01 -179.7 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.46 -31.78 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.32 -58.99 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -32.46 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.19 -37.08 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.13 -28.38 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.0 mt -71.32 -55.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.1 ptm -59.48 -31.63 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.427 HD13 HG12 ' A' ' 133' ' ' ILE . 66.4 mt -73.05 -28.57 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.72 -30.48 70.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.61 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.8 p -59.06 149.52 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.32 30.49 8.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.644 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.27 -178.48 4.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.5 p -108.55 95.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -111.98 149.96 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.3 p -128.53 166.08 19.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 mt-10 -58.79 -31.06 68.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -31.65 57.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 130' ' ' GLU . 8.0 mt -65.25 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.09 -31.42 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.08 -41.0 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.03 -40.24 88.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -27.52 57.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -56.73 -61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.062 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -76.27 -18.86 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.07 -29.32 60.79 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -80.11 143.57 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.297 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -115.04 -34.41 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.56 25.06 10.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.218 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 43.0 54.46 4.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.581 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -90.33 -29.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.26 11.53 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.538 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -128.2 174.46 9.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 31.2 mt -125.58 138.49 54.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -134.28 -172.39 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 154' ' ' LEU . 38.1 t80 -55.18 -44.79 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.237 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.18 -49.1 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.0 -43.85 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.27 -31.08 69.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 150' ' ' TYR . 3.3 mp -71.6 -43.53 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.76 -39.92 61.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.02 -47.74 81.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.6 mmt -65.29 -43.85 89.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.706 0.289 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -90.96 135.81 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -97.72 173.21 7.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.04 -68.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -67.57 -39.5 84.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.6 mttt 60.43 79.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -106.46 31.18 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -101.16 -32.12 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.7 m -69.08 71.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.89 55.67 0.64 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.07 123.59 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.93 80.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.2 p -94.19 -176.92 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -24.34 19.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.8 -34.59 67.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -27.99 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 154' ' ' LEU . 4.3 mt -71.45 -28.36 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.8 p -57.19 -29.99 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.62 -37.1 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.99 -32.1 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.7 t80 -66.95 -45.74 76.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -59.47 -31.01 68.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -45.5 92.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -69.01 -40.73 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.15 155.74 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -56.18 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -95.66 -7.54 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.365 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.78 64.02 0.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -103.41 -27.12 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 -14.34 7.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.774 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.9 158.87 38.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 117' ' ' LEU . 20.7 mt -129.69 143.39 41.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 172.66 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.18 -38.04 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -48.45 70.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.4 mt-10 -66.28 -45.49 80.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 112' ' ' ILE . 7.9 tp -63.89 -30.45 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -64.71 -28.46 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.7 mt -70.79 -56.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -28.91 68.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.21 -31.12 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.31 -31.02 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.35 -31.37 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.6 p -60.37 159.27 10.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.99 -49.94 20.22 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.94 152.51 23.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -96.28 94.55 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 128' ' ' ILE . 3.6 mp -80.6 148.78 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 p -104.24 163.48 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.17 -30.97 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -36.23 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -30.51 71.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.1 mt -72.56 -30.64 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -58.03 -31.24 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.23 -34.16 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.21 -37.41 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.436 ' HE1' ' O ' ' A' ' 112' ' ' ILE . 1.3 mmt -80.29 -30.59 38.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.48 -50.95 71.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -84.77 -19.87 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.64 -28.29 51.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.18 125.6 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.19 -23.36 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -91.7 8.79 35.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.454 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 42.97 37.71 1.2 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.9 0.381 . . . . 0.0 111.559 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.63 -27.55 15.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.03 -20.87 9.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.568 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -128.06 169.49 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 152' ' ' GLU . 34.4 mt -117.91 141.36 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -134.38 -171.08 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -55.02 -49.44 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.184 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.91 -45.09 87.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 148' ' ' ILE . 15.6 mt-10 -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -47.12 87.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 97' ' ' LEU . 1.2 mm? -59.6 -31.2 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -35.47 24.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.601 ' O ' HG22 ' A' ' 160' ' ' VAL . 29.3 t80 -73.39 -42.48 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -32.21 65.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -77.78 62.65 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.6 75.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 156' ' ' PHE . 23.4 t -75.21 -49.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.511 HG22 ' HG3' ' A' ' 83' ' ' ARG . 12.1 p -178.07 135.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.511 ' HG3' HG22 ' A' ' 82' ' ' VAL . 26.1 mtp180 60.51 97.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.0 t -118.66 107.9 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 ttm -112.18 -35.3 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.16 171.71 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.93 -34.91 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.2 102.94 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -89.31 -177.84 5.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -107.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -71.13 78.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 p -100.25 -178.61 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.74 -31.34 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -24.07 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.46 -31.74 56.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.96 -30.07 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 p -59.67 -35.23 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.86 -34.93 75.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.92 -31.05 40.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.1 -39.5 94.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -60.32 -31.68 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mmm -60.39 -36.86 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -74.71 -45.3 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 141.89 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' HG21 ' A' ' 119' ' ' ILE . 3.6 tptt -78.87 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.981 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -108.25 18.38 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 51.29 63.51 2.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 111.264 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -95.07 -27.5 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.54 -16.4 8.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.647 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 149' ' ' ASP . 89.2 m-85 -131.72 162.9 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.661 HG21 HD13 ' A' ' 117' ' ' LEU . 8.5 mt -129.71 135.77 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -132.97 178.59 6.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -33.25 70.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.01 -47.34 52.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -69.73 -32.86 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.661 HD13 HG21 ' A' ' 112' ' ' ILE . 6.4 tp -78.11 -30.73 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.71 ' HG3' HD13 ' A' ' 133' ' ' ILE . 1.5 mtpm? -62.73 -28.86 70.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.695 HG21 ' HD3' ' A' ' 106' ' ' LYS . 12.0 mt -70.59 -54.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ptm -59.0 -29.14 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.2 mt -72.46 -28.63 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.6 -30.1 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.06 -47.84 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.7 p -59.89 158.62 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.44 29.13 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 128' ' ' ILE . 14.6 mt-10 -99.7 151.25 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.9 p -93.23 85.36 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.0 mp -104.81 130.9 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.42 161.33 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -58.43 -29.49 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.82 -37.72 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.87 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 130' ' ' GLU . 15.9 mt -68.9 -30.84 48.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.1 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -82.38 -32.04 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.47 -27.43 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.5 mtp -88.29 -24.26 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -55.58 -43.2 75.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 26.4 p-10 -70.31 -19.6 63.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 156' ' ' PHE . . . -97.96 -25.54 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.557 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -88.21 122.65 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.77 -22.42 10.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -85.83 -11.88 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.179 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 63.64 31.44 14.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.86 -28.2 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.6 -22.24 8.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.57 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.31 175.61 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.5 mt -118.25 142.12 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p30 -134.44 169.07 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.885 ' O ' HD13 ' A' ' 154' ' ' LEU . 88.5 t80 -58.0 -25.2 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.3 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -58.69 4.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.99 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -75.9 -33.21 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.049 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.58 -28.29 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.2 mp -66.53 -43.44 85.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -72.65 -36.71 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.75 ' CE1' HG13 ' A' ' 160' ' ' VAL . 15.5 t80 -67.17 -33.9 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.6 mmt -74.32 -35.15 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -84.93 72.09 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.42 71.53 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.75 HG13 ' CE1' ' A' ' 156' ' ' PHE . 6.0 t -67.15 -38.37 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.056 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.876 0.37 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 82' ' ' VAL . 11.0 p -163.37 123.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -121.38 114.76 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.8 m -65.46 116.92 7.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.83 130.48 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt 63.79 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.88 108.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.2 -175.83 5.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 149.75 31.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -97.25 39.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.018 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.84 -148.42 6.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -100.16 80.94 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.322 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -176.24 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -30.19 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.44 -26.4 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.43 -42.74 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 154' ' ' LEU . 4.1 mt -58.05 -30.27 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 14.8 p -70.72 -32.14 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.59 -46.42 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.01 -29.67 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.26 -36.68 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -38.55 89.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.04 -37.68 88.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.415 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.96 -38.57 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -78.82 146.27 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 119' ' ' ILE . 2.2 tptt -111.12 -35.38 5.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.85 -23.76 33.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.91 39.81 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 111.05 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -100.35 -23.97 14.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 119.02 24.47 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.695 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.0 m-85 -157.58 155.86 30.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' A' ' 104' ' ' PHE . 6.9 mt -129.55 135.15 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -132.96 -176.95 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -47.35 86.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.347 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.34 -46.77 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.122 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -44.89 70.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.589 HD23 ' CG2' ' A' ' 133' ' ' ILE . 32.2 tp -61.52 -33.13 73.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.754 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 106' ' ' LYS . 17.9 mt -74.68 -31.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 ttp -68.8 -44.41 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.0 mt -75.69 -29.39 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.65 -27.91 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.13 90.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.1 p -58.93 174.29 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.36 34.78 5.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 128' ' ' ILE . 49.8 mt-10 -106.61 171.11 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.3 p -106.07 48.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 126' ' ' GLU . 1.9 mp -67.69 150.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.6 p -111.86 169.63 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -60.86 -31.1 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.66 -37.05 85.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.07 -42.58 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.1 mt -62.49 -30.34 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.58 -35.18 78.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.0 -33.88 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.15 -35.57 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -33.57 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.5 -52.82 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -83.09 -24.84 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.02 -29.51 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.25 114.16 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -106.39 2.05 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.436 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.34 -19.29 13.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.51 35.63 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -96.4 -24.43 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.1 -23.77 7.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.619 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -128.33 177.98 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.06 140.42 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -134.35 161.5 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 67.0 t80 -52.57 -27.38 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -56.51 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 0.0 111.033 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -24.49 40.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -56.65 -43.93 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -59.8 -29.48 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.94 -27.58 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.49 -24.28 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.09 18.12 19.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.224 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 26.86 2.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.278 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.78 55.44 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.363 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.9 m -84.93 -30.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.06 -35.58 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -131.42 116.1 17.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 t -158.13 158.44 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 mtt 63.04 144.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 121.76 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -82.59 152.34 25.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -106.85 102.02 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.92 30.29 3.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -118.43 149.58 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.19 -89.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 117.67 34.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.8 t -88.51 -177.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HG3' HD11 ' A' ' 154' ' ' LEU . 48.1 tt0 -65.31 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.97 -30.87 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -59.23 -34.66 72.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 154' ' ' LEU . 18.8 mt -68.76 -31.21 70.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -68.23 -39.6 82.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.32 -36.68 78.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.54 -31.08 68.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -69.4 -32.9 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -70.15 -32.37 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -31.02 62.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.36 -41.79 27.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.54 123.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -53.3 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -76.12 -25.87 55.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.01 39.99 5.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.892 0.377 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -93.39 -21.26 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 0.45 8.16 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -144.67 158.05 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.1 mt -129.79 146.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -133.09 177.32 7.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 134' ' ' GLU . 5.8 mt -58.64 -29.89 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -51.61 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.7 OUTLIER -71.59 -24.26 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 136' ' ' LEU . 13.4 tp -79.3 -32.89 43.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.246 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 133' ' ' ILE . 1.2 ptmt -72.32 -29.1 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 116' ' ' GLU . 12.2 mt -71.96 -48.37 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 ptm -62.72 -29.42 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 128' ' ' ILE . 6.0 tp -71.91 -27.28 62.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -56.0 -28.57 57.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.08 -28.8 64.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 121' ' ' LEU . 32.9 p -58.64 166.78 1.7 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.02 -28.24 29.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 128' ' ' ILE . 7.5 pt-20 -87.55 156.09 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.1 p -87.47 124.63 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.576 HD11 ' OE2' ' A' ' 126' ' ' GLU . 27.2 mm -112.31 138.34 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 75.9 p -95.72 159.27 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 15.5 mt-10 -59.17 -30.76 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.25 -32.52 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -30.3 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 118' ' ' LYS . 18.6 mt -74.69 -23.05 17.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.579 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.3 mm-40 -54.32 -41.96 69.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.001 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.51 -28.94 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.443 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -59.05 -40.38 84.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.657 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -83.02 -29.6 28.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -58.88 -53.46 58.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -75.5 -24.05 56.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.98 -27.68 52.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.04 116.18 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -109.26 -24.77 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.49 -21.13 32.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 67.31 52.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -107.99 -23.64 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -26.63 6.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -132.5 175.38 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.657 HD12 ' HE2' ' A' ' 137' ' ' MET . 13.5 mt -118.06 141.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -134.31 -178.47 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.85 -42.11 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -43.05 98.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.17 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.62 -34.81 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.89 -36.17 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.49 -48.58 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.689 ' O ' HG22 ' A' ' 160' ' ' VAL . 24.8 t80 -59.24 -35.97 74.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -84.17 -12.55 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -85.68 54.66 3.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 93.15 2.28 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.9 t -100.56 29.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ttm . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 83' ' ' ARG . 11.2 p -161.73 -44.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -69.08 -173.84 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.16 -171.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 mmm 64.6 -78.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.31 109.59 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.04 -64.59 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.2 105.29 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 150.49 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -83.77 86.09 7.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.07 -110.02 0.41 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -110.07 101.69 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -97.06 -174.71 3.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.473 ' H ' HG22 ' A' ' 93' ' ' THR . 0.0 OUTLIER -57.39 -22.46 43.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -25.71 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.176 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -30.0 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.84 0.352 . . . . 0.0 111.196 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.3 mt -56.53 -30.84 63.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.9 p -60.96 -39.67 90.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.26 -38.72 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 97' ' ' LEU . 4.6 mt -63.58 -36.87 85.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -71.92 -32.43 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 108' ' ' ALA . 22.2 mmm180 -61.41 -52.62 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.022 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.8 ptp -55.86 -44.32 77.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.424 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.2 m-85 -57.91 -37.8 74.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.01 156.15 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.89 -56.12 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.49 -6.36 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 102' ' ' ARG . . . 63.18 59.71 1.26 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -97.6 -24.16 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 -19.75 6.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.84 155.65 45.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.1 mt -129.76 141.15 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -132.96 -177.72 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 134' ' ' GLU . 7.5 mt -58.09 -43.2 86.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.94 -54.17 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -60.52 -33.52 72.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 133' ' ' ILE . 9.1 tp -79.57 -29.28 41.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 133' ' ' ILE . 2.9 ttpt -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.5 mt -72.29 -53.26 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ptm -58.72 -30.02 67.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -75.82 -32.64 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.0 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.3 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.7 p -60.35 178.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.66 -31.2 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.47 131.31 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -79.15 91.43 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 121' ' ' LEU . 29.4 mm -81.76 155.72 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 128' ' ' ILE . 29.2 p -104.91 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.1 tt0 -64.93 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -47.52 74.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.81 -35.98 79.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 121' ' ' LEU . 13.7 mt -73.8 -29.82 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.518 ' CG ' HD21 ' A' ' 114' ' ' LEU . 18.7 mt-10 -58.88 -25.9 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -57.31 -47.46 81.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.04 -31.02 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.69 -58.06 8.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -80.15 -18.1 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.09 -27.18 62.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -96.66 131.68 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -113.42 -28.96 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -90.62 -2.91 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -77.59 -29.13 51.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.89 -26.42 7.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -128.24 178.64 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.08 149.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.078 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.48 -172.78 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -64.18 -46.5 83.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -47.66 83.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.91 -45.53 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.441 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.49 -31.71 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.58 -36.34 17.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.785 ' O ' HG22 ' A' ' 160' ' ' VAL . 41.9 t80 -63.97 -30.08 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -46.95 9.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -84.32 73.85 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.77 80.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.8 t -83.51 58.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 111.073 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.932 0.396 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 84' ' ' CYS . 13.2 p -101.19 129.92 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 41.15 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.426 ' H ' HG22 ' A' ' 82' ' ' VAL . 98.5 m -112.97 103.11 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -124.39 161.29 26.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -149.84 143.38 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.91 128.53 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -167.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.48 50.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -105.76 179.41 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.48 118.48 5.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -102.02 -176.38 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -99.95 -85.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' H ' HG23 ' A' ' 93' ' ' THR . 0.6 OUTLIER -82.28 -31.75 29.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.27 -28.48 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.707 ' OE1' HD12 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -57.5 -30.42 65.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.072 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 ' HG2' ' A' ' 157' ' ' MET . 28.5 mt -72.99 -30.61 63.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -59.69 -39.38 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.06 -32.82 30.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.707 HD12 ' OE1' ' A' ' 96' ' ' GLU . 8.4 mt -72.95 -30.68 64.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.06 -32.48 73.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -33.53 75.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.9 mtt -59.99 -41.08 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -64.13 -39.33 93.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.43 134.82 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE2' HG22 ' A' ' 119' ' ' ILE . 7.4 mmmt -88.94 -58.55 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 38.0 p30 -85.44 -15.02 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.267 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.73 75.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.882 0.372 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.78 -21.62 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -25.69 5.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -129.82 168.07 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.57 HG21 HD13 ' A' ' 117' ' ' LEU . 8.9 mt -129.7 143.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -133.02 175.83 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 133' ' ' ILE . 12.7 tp -60.67 -37.83 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.14 -55.3 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -61.8 -42.52 99.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 121' ' ' LEU . 9.2 tp -67.03 -31.34 71.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.65 ' HG2' HD13 ' A' ' 133' ' ' ILE . 3.8 mtpm? -64.49 -27.72 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.529 HG22 ' HE2' ' A' ' 106' ' ' LYS . 21.1 mt -71.71 -51.69 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 ptm -62.73 -29.2 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -66.23 -32.46 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -60.0 -31.4 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.3 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -60.98 143.11 55.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.47 -34.19 73.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.28 143.13 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 p -85.4 111.66 20.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mm -110.81 138.65 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -91.25 173.61 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.777 ' HA ' HD12 ' A' ' 133' ' ' ILE . 16.0 mt-10 -67.7 -31.46 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -37.36 72.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.9 mt -69.41 -32.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.35 -31.87 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.409 ' HE3' HD12 ' A' ' 148' ' ' ILE . 1.4 ttm -87.71 -32.55 19.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.37 -43.89 96.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -84.92 -18.66 33.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.387 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.78 -27.58 50.03 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -89.31 138.87 31.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -110.44 -41.61 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -88.28 -14.55 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 66.81 71.87 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.07 -23.54 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.99 -26.91 6.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -131.24 174.36 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.409 HD12 ' HE3' ' A' ' 137' ' ' MET . 14.2 mt -118.52 148.13 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -134.38 -178.07 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.94 -45.57 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.73 -47.54 85.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.09 -45.6 73.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.4 -33.25 73.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.16 -47.53 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.9 -37.31 78.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.415 ' CE1' HG13 ' A' ' 160' ' ' VAL . 21.8 t80 -64.26 -45.41 88.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.422 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -74.27 -31.47 62.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -78.65 61.78 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.76 73.12 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.415 HG13 ' CE1' ' A' ' 156' ' ' PHE . 17.3 t -61.52 -34.46 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 111.155 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 -179.905 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.6 mtp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m 42.75 35.43 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.688 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -158.22 115.25 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.7 -48.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.68 -56.51 17.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -105.07 78.5 1.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.8 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 31.54 5.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.68 115.08 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -101.45 178.9 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.88 -112.52 0.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -108.54 120.92 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.691 HG23 ' HB2' ' A' ' 95' ' ' GLU . 5.2 t -100.38 177.72 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.29 -22.02 60.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.691 ' HB2' HG23 ' A' ' 93' ' ' THR . 4.9 mt-10 -58.49 -34.86 71.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.047 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.36 -30.9 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.0 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 157' ' ' MET . 4.3 mt -64.23 -27.78 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -30.81 65.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -38.34 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.8 mm? -58.88 -37.43 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 112' ' ' ILE . 84.2 t80 -68.85 -42.31 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -59.29 -30.23 68.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -39.32 93.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.82 -43.38 36.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.64 115.19 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -67.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.445 ' ND2' ' OE1' ' A' ' 116' ' ' GLU . 8.2 p30 -76.31 -20.81 56.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.82 72.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.224 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.4 -16.76 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.04 -24.27 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.87 171.79 12.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 101' ' ' PHE . 35.2 mt -129.77 138.74 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.04 171.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -44.28 92.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' OE1' ' ND2' ' A' ' 107' ' ' ASN . 26.3 tt0 -71.55 -36.51 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.437 HD23 HG22 ' A' ' 133' ' ' ILE . 12.8 tp -68.56 -30.72 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -67.18 -26.95 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.2 mt -70.19 -46.13 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -64.86 -27.82 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 128' ' ' ILE . 4.6 tt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.75 -31.34 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.04 83.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.9 p -60.32 147.5 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.58 28.5 13.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.76 173.7 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.3 p -102.81 77.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.717 ' HB ' HD21 ' A' ' 121' ' ' LEU . 24.2 mt -110.33 149.34 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 52.0 p -109.03 -174.04 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.868 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -75.9 -31.47 59.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -31.19 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -36.43 79.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.9 mt -63.6 -30.35 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.95 -30.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.49 -33.24 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -32.57 72.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -31.08 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -50.62 72.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -84.74 -22.38 29.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.83 -27.34 58.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 126.67 38.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -109.99 -29.73 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.988 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.58 -20.46 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 144' ' ' ASN . 2.6 t30 67.58 36.77 3.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -89.31 -20.78 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.29 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -130.76 171.04 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -118.09 140.37 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -134.26 -172.27 2.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.691 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 13.6 t80 -57.09 -50.94 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 154' ' ' LEU . 12.3 m-20 -56.22 -38.76 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.239 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -80.06 -36.14 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.069 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.42 -36.71 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.691 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -58.51 -35.29 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.78 -36.11 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -59.26 -30.0 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -102.16 24.15 10.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.0 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -91.31 23.73 3.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.8 63.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.9 m -102.11 74.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p -109.62 -31.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -96.04 101.98 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -156.06 -62.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmt -129.0 113.84 15.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -97.09 -41.99 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -96.4 42.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.07 -63.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -90.34 104.16 16.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.04 120.49 41.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.29 -136.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -98.65 75.76 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 95' ' ' GLU . 3.0 t -89.29 174.53 7.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.47 -27.51 4.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.607 ' HB2' HG23 ' A' ' 93' ' ' THR . 8.9 mt-10 -60.33 -28.33 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.054 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.48 -28.63 63.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.172 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.45 -28.96 63.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -58.06 -30.3 66.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -41.76 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.51 -45.13 63.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.98 -42.95 95.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -32.56 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.65 -42.6 81.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.12 -34.59 77.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 149.25 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.402 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -91.62 -57.69 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -103.1 8.73 38.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 65.33 1.53 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.29 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.608 ' OD1' 'CA ' ' A' ' 162' ' ' ' CA' . 12.8 p-10 -103.87 -25.71 12.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.33 6.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.624 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 25.7 m-85 -129.7 153.25 48.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.597 HG21 HD13 ' A' ' 117' ' ' LEU . 1.9 mp -129.72 148.16 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.98 178.32 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.504 HD12 ' SD ' ' A' ' 137' ' ' MET . 3.9 mp -59.04 -44.72 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.2 -52.74 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.02 -45.79 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 112' ' ' ILE . 8.4 tp -63.34 -33.13 74.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.402 HG21 ' HD3' ' A' ' 106' ' ' LYS . 30.6 mt -69.67 -54.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -57.03 -27.3 61.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 118' ' ' LYS . 12.1 mt -72.29 -30.72 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -62.9 -30.91 71.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.43 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.5 p -63.33 163.78 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.54 -36.32 8.07 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.52 153.52 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.6 p -89.78 110.82 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.477 HG13 HD22 ' A' ' 121' ' ' LEU . 21.6 mm -85.44 140.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.7 p -78.69 153.19 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.61 -31.13 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.18 -35.13 80.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.46 -33.3 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 121' ' ' LEU . 22.3 mt -76.28 -30.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 114' ' ' LEU . 11.5 mt-10 -74.4 -32.92 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.42 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.71 -30.67 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.504 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -79.48 -31.66 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -67.23 -60.61 2.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -68.72 -18.38 64.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.74 -26.95 33.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.577 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.92 112.58 24.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -113.31 -17.56 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -85.79 -13.21 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 64.54 31.16 12.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.955 0.407 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -90.61 -27.37 19.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.69 -23.95 8.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.551 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -128.33 -178.24 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 137' ' ' MET . 15.4 mt -117.91 143.74 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 20.5 p30 -134.53 173.52 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.847 ' O ' HD13 ' A' ' 154' ' ' LEU . 12.2 t80 -61.37 -25.69 67.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.26 -57.7 7.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.24 -35.35 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.61 -29.32 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.1 mp -66.45 -33.54 75.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -85.18 -39.84 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.644 ' O ' HG22 ' A' ' 160' ' ' VAL . 38.5 t80 -60.09 -44.91 94.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -30.89 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -78.96 61.94 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.84 68.2 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 156' ' ' PHE . 26.2 t -65.86 -38.58 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . 0.608 'CA ' ' OD1' ' A' ' 109' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 82' ' ' VAL . 9.9 p -171.09 59.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.023 0.439 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -139.62 154.85 47.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.26 35.12 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.5 103.91 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.22 -29.47 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.91 -179.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.88 174.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 t -76.16 -47.48 24.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 93.87 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.52 29.68 11.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -92.95 89.98 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 95' ' ' GLU . 10.7 t -90.75 -170.24 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -26.23 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.725 ' H ' HG23 ' A' ' 93' ' ' THR . 5.3 tt0 -59.5 -28.31 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.139 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -26.47 49.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 154' ' ' LEU . 7.4 mt -55.73 -29.11 58.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.6 p -58.71 -30.48 67.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.9 -30.09 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.69 -31.38 28.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.08 -46.86 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -30.63 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 mtt -66.45 -44.21 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.36 -45.33 93.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.75 131.81 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.622 ' HG3' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -75.04 -65.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -86.6 -10.55 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.27 74.9 0.39 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.987 0.422 . . . . 0.0 111.035 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.94 -21.86 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.24 -23.31 6.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 91.9 m-85 -129.88 162.97 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.65 145.16 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -137.43 -175.5 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 134' ' ' GLU . 3.9 mm? -59.55 -38.39 80.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -67.2 -50.68 60.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.3 tp10 -63.91 -34.49 78.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 136' ' ' LEU . 8.1 tp -78.87 -29.9 44.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.29 -29.82 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.7 mt -70.23 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 121' ' ' LEU . 3.5 ppp? -55.02 -31.63 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -76.21 -30.18 57.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.001 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.86 84.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.2 p -59.84 179.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.62 -25.17 6.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.22 142.04 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -82.6 86.78 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.591 HG21 HD21 ' A' ' 121' ' ' LEU . 4.3 mt -98.79 133.94 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -87.63 178.88 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 133' ' ' ILE . 19.7 tt0 -72.04 -31.58 66.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.31 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.826 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.4 mt -75.71 -28.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.7 mt-10 -65.18 -51.63 59.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -29.3 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.061 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.19 -34.66 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.0 ttm -85.0 -17.94 36.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -62.61 1.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.23 -21.25 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.93 -27.03 42.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -96.5 133.88 40.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 111.019 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -134.38 25.21 3.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.64 -5.45 9.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.419 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.83 29.58 19.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.851 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -105.43 -18.15 14.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.25 26.64 17.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -156.51 166.65 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.1 mt -120.13 143.98 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.8 p30 -134.45 -175.88 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD21 ' A' ' 154' ' ' LEU . 8.9 t80 -59.25 -43.41 92.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -42.81 99.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.59 -36.38 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.53 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 97' ' ' LEU . 3.5 mm? -62.2 -53.94 48.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.15 -42.33 94.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 160' ' ' VAL . 31.4 t80 -60.31 -44.03 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.441 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -78.03 62.46 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.45 71.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.545 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 156' ' ' PHE . 24.5 t -73.44 -56.84 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.422 ' HG3' HG22 ' A' ' 82' ' ' VAL . 2.7 ptt? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.865 0.364 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 81' ' ' MET . 15.7 m -133.67 124.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.084 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 88.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 t -115.82 -49.63 2.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.15 41.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -98.23 30.28 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -110.49 31.44 5.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -101.42 77.39 1.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -84.27 174.57 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -97.11 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.85 58.42 0.42 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.578 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -59.13 148.44 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.72 -74.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.41 -49.55 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.92 -23.34 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' OE2' HD11 ' A' ' 100' ' ' LEU . 1.5 pp20? -60.72 -18.7 56.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 157' ' ' MET . 12.6 mt -48.98 -28.1 3.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -59.66 -32.23 70.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.63 -33.75 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD11 ' OE2' ' A' ' 96' ' ' GLU . 5.1 mt -74.27 -29.73 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.68 -27.41 65.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.05 -54.24 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.097 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.0 ptm -55.36 -43.02 74.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.14 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.662 ' HB3' HD13 ' A' ' 112' ' ' ILE . 4.9 m-85 -56.74 -30.87 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.41 151.4 30.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.59 -53.89 3.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -95.89 -8.04 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.3 52.04 2.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -91.27 -22.78 20.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.06 -20.2 6.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.9 m-85 -129.92 163.25 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 104' ' ' PHE . 22.5 mt -129.68 145.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.11 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.92 -46.18 88.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.88 -53.48 53.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.809 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -62.24 -31.15 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 133' ' ' ILE . 18.3 tp -78.9 -30.37 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.89 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 116' ' ' GLU . 8.7 mt -67.83 -48.4 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.7 ptm -59.6 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.565 HD12 HG13 ' A' ' 128' ' ' ILE . 2.2 mm? -72.32 -29.98 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -57.92 -30.81 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.19 69.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.4 p -65.48 164.87 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.27 -44.35 8.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.455 ' OE1' HD11 ' A' ' 128' ' ' ILE . 13.4 pt-20 -70.56 152.63 43.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.731 0.301 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.6 p -97.33 102.87 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.565 HG13 HD12 ' A' ' 121' ' ' LEU . 30.6 mm -86.18 147.13 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.4 p -93.22 166.49 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.31 -31.34 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -36.56 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -39.58 79.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.538 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.2 mm -73.85 -29.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -31.01 68.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.97 -33.09 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -32.47 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.417 ' HE2' HG13 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -88.04 -31.76 19.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -60.6 -48.55 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -84.14 -17.4 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.365 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.65 -27.02 52.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.52 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -89.75 126.58 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -112.95 -33.29 6.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -87.75 -11.4 48.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 66.11 60.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -109.8 -28.43 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.33 10.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.562 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -128.23 167.66 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.417 HG13 ' HE2' ' A' ' 137' ' ' MET . 37.3 mt -118.28 146.37 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 5.6 p-10 -134.56 -173.77 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 18.3 t80 -57.87 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.17 -48.55 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -70.24 -40.16 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.09 -41.16 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -37.51 85.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.41 -37.34 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 160' ' ' VAL . 49.2 t80 -64.46 -47.88 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.731 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.67 -38.82 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -73.99 64.5 1.02 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.7 91.91 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 156' ' ' PHE . 11.4 t -94.93 43.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.3 mtt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.15 -53.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -169.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 23.5 t -81.63 123.38 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.1 110.09 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.92 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -97.66 36.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -43.76 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.96 131.43 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.04 122.0 22.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.13 -159.03 34.92 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -98.04 49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.6 p -86.83 -177.75 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.13 -22.41 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.288 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.34 -28.91 66.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -24.9 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.35 -29.7 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 t -59.87 -30.28 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.3 -43.42 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.05 -33.94 72.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 46.9 t80 -70.21 -40.68 74.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -58.94 -30.34 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.4 mtt -73.21 -31.52 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.03 -33.0 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.28 154.14 42.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -97.5 -47.5 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -105.06 -4.49 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.86 68.29 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.87 -26.75 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.08 -20.84 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.67 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 11.4 m-85 -129.73 151.92 49.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.9 mt -129.86 149.51 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -134.04 -179.14 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.84 -31.19 69.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.64 -56.6 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.22 -32.96 74.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.29 -28.7 63.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -66.12 -27.02 67.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.46 HG21 ' HD3' ' A' ' 106' ' ' LYS . 42.4 mt -71.81 -33.75 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.217 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.56 -29.41 33.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.991 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -75.81 -40.34 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.08 -46.31 89.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.66 72.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.2 p -75.82 148.36 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.53 32.54 6.41 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.29 172.35 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.5 p -102.99 72.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mt -112.23 121.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.43 166.54 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.17 -39.38 82.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.27 -31.01 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -30.08 71.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 121' ' ' LEU . 31.6 mt -69.24 -35.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.68 -35.37 79.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.82 -31.77 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.64 -50.01 75.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -27.14 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -56.68 -63.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -75.39 -19.0 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.265 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.86 -27.23 57.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.404 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -89.53 152.72 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -124.43 -41.25 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -91.79 -0.38 57.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.339 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 35.93 19.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.75 -30.34 59.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.53 11.08 20.45 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.678 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -155.17 176.94 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 43.0 mt -127.3 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 14.1 p-10 -134.27 -173.57 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.22 -41.26 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.54 -51.2 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.42 -40.91 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CE1' ' HE1' ' A' ' 157' ' ' MET . 21.6 t80 -59.36 -34.75 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.81 -50.76 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.02 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.672 ' O ' HG22 ' A' ' 160' ' ' VAL . 20.3 t80 -59.41 -35.3 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.422 ' HE1' ' CE1' ' A' ' 153' ' ' PHE . 3.5 tpp -86.79 -22.91 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.36 57.71 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.2 79.62 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.55 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 156' ' ' PHE . 11.7 t -75.79 -32.14 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.349 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.12 177.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 80.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.5 m -127.06 -178.15 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.29 -179.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -113.27 103.17 11.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -69.0 -45.55 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.27 50.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.1 t -98.43 34.5 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -116.81 78.58 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.43 -117.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -104.39 67.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.8 HG23 ' H ' ' A' ' 95' ' ' GLU . 8.9 t -85.66 -169.24 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.509 ' HA ' HD12 ' A' ' 97' ' ' LEU . 29.9 mt-10 -65.53 -16.56 63.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.8 ' H ' HG23 ' A' ' 93' ' ' THR . 6.4 mt-10 -67.89 -50.68 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 111.179 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -29.54 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.139 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 94' ' ' GLU . 16.1 mt -58.8 -29.85 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.44 -43.74 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -35.72 75.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 35.4 t80 -72.51 -27.39 62.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -51.67 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.266 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.6 ptm -53.97 -42.41 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.107 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.737 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.9 m-85 -59.64 -30.05 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.92 137.93 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -84.19 -52.77 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -98.2 -9.9 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.14 63.49 0.66 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -101.83 -21.75 14.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.43 6.85 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.4 m-85 -129.72 159.03 37.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.9 mt -129.63 142.82 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -137.49 174.01 11.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.649 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.5 mm? -58.87 -31.07 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.44 -52.6 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.2 mt-10 -71.81 -26.99 62.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.631 HD22 ' SD ' ' A' ' 137' ' ' MET . 12.5 tp -77.38 -36.34 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.27 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -66.23 -27.77 68.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.5 mt -72.52 -47.26 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.401 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.4 ptm -68.4 -30.78 69.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 HG12 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -75.83 -30.05 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.03 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.07 -29.9 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -58.8 179.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.37 4.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.9 138.6 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 53.4 p -78.98 94.39 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 31.6 mm -106.06 135.13 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 m -88.39 163.14 16.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.15 76.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.94 -32.69 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.99 -29.96 70.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.566 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.1 mt -75.86 -29.99 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.595 ' N ' HD11 ' A' ' 114' ' ' LEU . 1.6 mt-10 -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.41 -35.48 81.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -31.9 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.649 ' HG3' HD22 ' A' ' 114' ' ' LEU . 47.0 mmm -88.14 -24.46 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -54.71 -49.78 69.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.153 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -84.86 -18.89 33.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.367 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.04 -27.04 46.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -97.47 121.12 39.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -108.79 17.08 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -117.17 -15.26 10.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.292 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.28 29.75 11.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -96.41 -23.94 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.84 19.64 11.71 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.669 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -156.93 164.8 37.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.42 146.35 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.5 p30 -134.38 -174.92 3.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.992 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.9 -46.99 87.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.99 -48.23 82.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.1 -42.11 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' A' ' 157' ' ' MET . 61.0 t80 -61.96 -35.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.476 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.3 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 160' ' ' VAL . 27.2 t80 -64.84 -42.95 94.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE2' ' A' ' 153' ' ' PHE . 43.2 mmm -71.87 -39.84 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -77.87 67.57 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.7 77.27 1.17 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 156' ' ' PHE . 21.8 t -76.43 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.73 0.3 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.19 -25.51 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -95.78 41.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.44 -49.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -174.89 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -68.53 94.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.59 -34.13 73.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 140.53 30.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 120.28 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -71.08 78.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.17 172.4 22.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -78.07 94.08 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.24 -173.91 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.769 ' HG3' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -63.5 -34.6 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -24.82 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.14 -57.79 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.733 HD21 ' HG2' ' A' ' 157' ' ' MET . 61.9 mt -59.47 -29.78 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 p -58.55 -30.14 66.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.52 -35.27 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 97' ' ' LEU . 51.5 mt -66.03 -32.5 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -72.69 -29.73 63.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -63.36 -57.04 11.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -58.88 -44.49 91.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -33.13 70.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.33 118.7 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.46 ' NZ ' HG22 ' A' ' 119' ' ' ILE . 3.6 tptt -68.43 -44.59 74.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -91.42 -25.92 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.33 39.8 6.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.55 -13.85 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.01 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.69 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 21.4 m-85 -138.8 152.98 48.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.73 145.06 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -132.93 -176.21 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -60.37 -28.3 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.5 -64.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.4 mt-10 -58.24 -23.96 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.585 HD22 ' SD ' ' A' ' 137' ' ' MET . 24.3 tp -78.94 -46.29 18.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -61.28 -30.12 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -68.54 -32.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.33 -38.0 87.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.14 -29.35 57.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.45 -30.81 65.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.71 69.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.5 p -75.14 170.97 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.43 -27.87 41.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.63 141.13 55.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.4 p -104.67 98.55 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.1 mm -99.88 129.52 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 t -74.2 160.26 31.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -33.17 74.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.74 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.4 -29.74 59.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 114' ' ' LEU . 35.3 mm -64.3 -32.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.403 ' HG2' HD11 ' A' ' 114' ' ' LEU . 1.3 mt-10 -65.01 -43.61 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.14 -31.33 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -42.99 90.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.585 ' SD ' HD22 ' A' ' 117' ' ' LEU . 33.5 mmm -87.82 -22.67 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -84.85 -18.58 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.95 -28.35 54.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.479 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -72.87 133.08 44.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -120.37 -33.85 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.334 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -95.82 16.23 18.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.311 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 43.08 31.66 0.37 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 111.518 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.624 ' OD1' 'CA ' ' A' ' 163' ' ' ' CA' . 9.9 p-10 -84.0 -29.57 26.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.97 -19.12 11.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -128.05 177.72 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 152' ' ' GLU . 29.2 mt -124.03 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.9 p30 -134.32 -169.25 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -55.41 -51.37 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -46.83 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 148' ' ' ILE . 6.0 mt-10 -67.14 -43.68 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.69 -30.55 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.769 HD11 ' HG3' ' A' ' 94' ' ' GLU . 2.3 mm? -75.27 -52.46 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.3 -42.66 87.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.754 ' O ' HG22 ' A' ' 160' ' ' VAL . 35.3 t80 -59.2 -37.36 77.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.733 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.16 -24.51 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -82.03 58.58 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.1 73.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 156' ' ' PHE . 23.2 t -68.84 -31.22 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . 0.624 'CA ' ' OD1' ' A' ' 145' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.829 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.66 139.0 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -79.06 144.91 34.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.9 m -140.34 118.47 11.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.5 mmm 62.73 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -110.61 126.07 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -108.9 -37.66 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -98.5 -176.5 3.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -172.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -58.3 158.8 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.75 -76.84 0.33 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -84.29 102.22 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.401 ' CG2' ' CG ' ' A' ' 95' ' ' GLU . 11.1 t -100.31 -163.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -44.32 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' CG ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -55.11 -24.4 25.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -58.64 -22.01 55.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -51.98 -27.01 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.101 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.9 p -58.48 -31.14 67.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.79 -36.65 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.5 -30.42 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -72.11 -22.75 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -52.67 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.168 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 ptm -54.03 -42.39 69.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.71 -31.83 66.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.07 127.15 41.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.58 -67.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -63.16 -23.91 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.18 49.07 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.78 -20.59 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.02 -22.27 6.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.601 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -130.14 153.51 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 117' ' ' LEU . 38.0 mt -129.64 149.51 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -132.94 179.34 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 114' ' ' LEU . 7.0 mp -58.81 -27.35 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.726 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -54.72 -30.58 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 121' ' ' LEU . 6.8 tp -79.1 -30.28 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.0 mt -67.67 -57.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.87 -29.24 64.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.912 HD13 HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -76.11 -33.35 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.99 -29.07 69.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.15 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -60.32 173.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -85.68 -29.41 26.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.0 131.63 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 p -81.14 104.82 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.525 HG21 ' CD1' ' A' ' 133' ' ' ILE . 24.6 mm -101.34 152.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 167.4 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.29 -30.53 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -32.72 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -41.88 64.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 121' ' ' LEU . 34.8 mm -65.46 -26.93 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -58.98 -31.32 68.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.59 -38.46 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.68 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.646 ' SD ' HD22 ' A' ' 117' ' ' LEU . 69.5 mmm -74.85 -28.97 60.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -56.62 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.4 -20.07 44.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.47 52.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -82.21 113.46 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.24 -26.76 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -84.85 -17.65 37.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.27 31.08 8.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.601 ' OD2' 'CA ' ' A' ' 163' ' ' ' CA' . 3.4 p30 -92.44 -24.72 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.12 -20.19 8.56 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.643 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -128.2 173.16 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.7 mt -118.18 150.38 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.59 -175.81 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -59.47 -42.15 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -49.67 74.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.45 -41.1 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.19 -41.31 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -64.81 -50.03 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -46.94 77.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -60.24 -31.35 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 45.4 mmm -103.88 23.65 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.51 23.66 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.38 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 62.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.0 m -99.42 -34.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . 0.601 'CA ' ' OD2' ' A' ' 145' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.595 ' O ' HG12 ' A' ' 82' ' ' VAL . 13.9 t -110.13 21.59 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.69 -173.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.7 m -114.32 -175.78 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 64.57 32.94 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -60.02 -47.8 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.43 -30.21 25.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -22.43 47.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 m -96.06 37.7 1.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.986 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -118.41 179.4 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.45 -130.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 125.74 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.75 0.309 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -87.05 -172.72 4.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 93' ' ' THR . 0.5 OUTLIER -67.79 -35.71 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -29.08 69.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.43 -27.61 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.6 -28.92 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -58.79 -30.91 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.31 -38.8 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.97 -33.25 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -63.64 -39.45 94.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.53 -29.56 69.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmm -58.24 -36.7 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.98 -31.22 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.38 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -101.16 -62.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.4 p30 -83.88 -18.29 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.66 47.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.88 -18.01 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -22.07 6.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.607 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.2 m-85 -130.75 165.79 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.0 mt -129.63 143.91 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -133.15 174.4 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.21 63.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -39.73 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 119' ' ' ILE . 33.6 mt-10 -71.82 -38.17 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 121' ' ' LEU . 17.9 mt -68.88 -38.22 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -60.24 -31.11 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 116' ' ' GLU . 13.3 mt -73.63 -58.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -58.94 -29.68 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.706 HD22 HG13 ' A' ' 128' ' ' ILE . 17.7 mt -75.53 -30.27 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.67 -30.16 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.06 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -59.94 172.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.62 -40.28 6.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 130.94 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -71.06 105.04 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.706 HG13 HD22 ' A' ' 121' ' ' LEU . 26.7 mm -95.13 118.22 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -176.93 5.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.1 mm-40 -62.52 -44.25 96.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -33.73 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.651 ' HB3' HG23 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -64.15 -39.43 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.0 mt -68.6 -30.72 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.77 -34.13 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.51 -33.62 74.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.472 HD22 HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -65.56 -38.57 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -28.36 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -57.82 -51.95 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -84.88 -19.21 32.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.321 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.22 -39.94 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 141.63 38.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -115.91 -39.18 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.5 p30 -96.88 -3.68 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.2 t30 62.35 61.73 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.983 0.42 . . . . 0.0 110.764 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -101.09 -24.35 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.11 -27.56 6.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -134.9 -178.86 5.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.2 mt -127.53 146.69 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.2 p30 -134.04 177.33 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.541 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.3 t80 -54.95 -52.49 62.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.094 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -53.21 -40.07 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.24 -31.97 38.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 157' ' ' MET . 1.8 t80 -72.01 -31.55 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 21.5 mt -57.86 -35.12 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.8 -44.3 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.44 -41.16 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -77.53 -33.12 54.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -86.65 70.04 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.8 68.1 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.402 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.1 t -59.11 -30.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.9 mtt . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.789 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.03 96.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -67.05 -68.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.0 t -163.03 108.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.21 130.2 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.25 169.4 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.88 89.36 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -79.7 -48.19 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.3 m -84.2 95.13 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -75.15 -171.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.56 -111.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -96.26 92.47 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.8 p -100.29 -176.59 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -59.15 -27.58 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.29 -50.47 63.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.19 84.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -35.12 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.82 -37.2 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -60.05 -35.52 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.51 -33.29 74.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.25 136.29 49.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.38 -64.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -96.04 14.82 22.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.269 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.81 60.14 3.99 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 17.03 22.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 64.84 17.17 62.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.76 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 78.4 m-85 -157.2 160.94 39.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.4 mt -131.75 137.91 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.11 178.89 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.4 OUTLIER -61.41 -29.55 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -81.79 -60.94 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.1 mt-10 -55.06 -28.2 50.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 121' ' ' LEU . 29.2 tp -79.37 -29.94 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 133' ' ' ILE . 2.8 tmtt? -75.49 -29.8 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.8 mt -69.61 -33.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' HD22 ' A' ' 121' ' ' LEU . 3.4 ptm -79.03 -27.19 43.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.017 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.771 HD12 HG13 ' A' ' 128' ' ' ILE . 1.8 mm? -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.75 -29.48 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -70.24 160.92 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.86 -39.89 12.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.21 160.93 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -99.77 117.34 33.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.771 HG13 HD12 ' A' ' 121' ' ' LEU . 24.2 mm -110.98 140.11 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 p -98.82 166.59 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.5 mt-10 -60.36 -28.7 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -47.55 81.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -40.03 93.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 130' ' ' GLU . 4.6 mt -76.05 -27.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.702 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -61.15 -53.23 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.924 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.87 -29.22 69.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.05 -31.74 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -59.26 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.05 -18.67 42.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.24 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.71 -27.75 58.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.69 141.5 28.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -116.05 -39.22 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -85.79 -17.68 35.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.8 t30 68.04 69.4 0.33 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.19 -22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.15 -26.24 6.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -135.7 177.68 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.91 153.79 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -134.44 -173.55 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 154' ' ' LEU . 27.8 t80 -65.14 -56.64 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.39 -31.07 54.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.073 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.04 -51.08 9.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.75 -31.87 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 150' ' ' TYR . 6.8 mp -60.26 -45.48 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -74.88 -39.4 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -59.58 -29.44 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.93 21.58 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.56 27.45 2.0 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.331 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 62.67 0.68 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.48 29.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 82' ' ' VAL . 12.4 p -136.28 118.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -140.3 111.9 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 91.4 m -138.84 79.02 1.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.4 ttt -169.2 -44.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -107.33 94.4 5.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 -48.43 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -71.12 -178.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -87.85 -66.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 175.58 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.36 -66.87 1.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.573 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -97.67 87.65 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.13 -175.6 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -61.37 -22.48 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.32 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -28.84 69.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.19 -30.68 66.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -65.67 -31.03 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.51 -50.32 70.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.68 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.16 -41.14 92.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -60.73 -31.57 70.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtp -69.95 -32.95 71.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.425 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.4 m-85 -74.36 -33.4 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -82.39 146.07 29.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HE2' HD13 ' A' ' 119' ' ' ILE . 4.5 tptt -102.91 -41.0 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -84.57 -20.26 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.84 40.66 7.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.386 . . . . 0.0 111.03 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.46 -25.72 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.98 -10.97 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.753 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -129.92 158.77 38.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.425 HD13 ' HB3' ' A' ' 104' ' ' PHE . 23.0 mt -129.94 147.25 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -135.11 -175.27 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.3 -32.81 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.5 -57.03 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.38 -26.66 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 136' ' ' LEU . 47.7 tp -80.47 -30.4 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.97 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -73.27 -46.71 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 120' ' ' MET . 2.7 pp -57.65 -42.58 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.28 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.724 ' N ' HD12 ' A' ' 119' ' ' ILE . 10.0 ptm -67.02 -29.95 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.2 mm? -74.15 -31.58 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -60.39 -30.03 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.04 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.3 p -58.77 158.14 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.16 17.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.48 144.92 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.5 p -69.69 110.02 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 121' ' ' LEU . 24.8 mm -85.51 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 132' ' ' ASP . 11.8 t -106.19 157.48 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.1 mt-10 -60.46 -32.05 71.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -35.42 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.518 ' H ' HG23 ' A' ' 129' ' ' THR . 0.5 OUTLIER -76.02 -45.94 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 130' ' ' GLU . 6.3 mt -62.67 -30.16 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.9 -32.96 65.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.99 -27.96 63.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.577 ' CB ' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.15 -37.79 72.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -26.88 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -57.02 -52.53 64.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 23.3 p-10 -84.77 -21.2 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.86 -27.41 58.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -91.91 115.68 28.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -109.45 -26.8 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.36 -18.78 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 68.33 50.31 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -103.69 -27.39 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -27.11 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -130.69 174.58 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 51.3 mt -119.12 140.26 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -134.42 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 154' ' ' LEU . 33.1 t80 -56.12 -43.93 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.91 83.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.87 -42.34 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.19 -39.92 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 150' ' ' TYR . 5.1 mp -60.3 -34.31 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.57 -47.7 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 160' ' ' VAL . 77.6 t80 -59.92 -30.43 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 9.0 mmt -83.08 -27.09 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -79.62 59.73 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.46 70.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 156' ' ' PHE . 24.7 t -64.11 -30.92 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.585 ' O ' HG12 ' A' ' 82' ' ' VAL . 16.4 t 64.6 33.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.84 94.8 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.1 p -111.26 -41.12 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.38 91.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -151.41 31.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.16 -64.85 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.2 103.07 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.0 p -90.91 100.85 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HG3' HG23 ' A' ' 93' ' ' THR . 1.1 ptmt -98.77 147.1 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -95.25 -80.84 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.82 111.54 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -100.27 -176.2 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.51 -32.37 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -63.61 -28.56 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 100' ' ' LEU . 53.8 mm-40 -60.33 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 154' ' ' LEU . 17.2 mt -76.11 -35.11 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -61.09 -32.52 72.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.8 -34.39 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 96' ' ' GLU . 1.7 mt -69.68 -32.63 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.88 -28.89 63.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.14 -52.38 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.5 ptp -57.15 -43.64 82.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -58.2 -31.79 67.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 174.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -114.99 -48.1 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -113.51 10.99 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.39 58.76 4.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -96.3 -28.69 14.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.04 -15.74 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -134.28 154.74 51.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 104' ' ' PHE . 7.9 mt -129.73 141.9 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -135.05 -175.78 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.48 HD21 ' HG3' ' A' ' 134' ' ' GLU . 0.9 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.75 -54.66 10.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 119' ' ' ILE . 16.1 mt-10 -71.69 -25.38 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.65 -34.88 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -67.63 -28.39 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 116' ' ' GLU . 19.0 mt -74.58 -31.05 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 121' ' ' LEU . 3.7 ttp -64.05 -55.31 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.42 HD12 ' CE ' ' A' ' 120' ' ' MET . 8.9 mp -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -56.94 -30.48 64.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.28 87.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -60.56 171.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.21 27.99 16.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' A' ' 128' ' ' ILE . 42.1 mt-10 -106.97 140.82 39.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.6 p -94.2 86.24 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.7 mp -100.17 153.45 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -106.89 167.64 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.97 -30.77 69.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.08 -36.08 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 -29.82 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.99 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.32 -31.57 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.196 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' HD21 ' A' ' 114' ' ' LEU . 43.8 mt-10 -68.27 -30.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.75 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -41.92 92.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -30.04 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -59.92 -58.44 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.61 -24.44 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.38 -27.44 73.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.58 138.8 34.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -110.76 -40.51 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -86.87 -15.27 39.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 t30 68.21 53.32 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -95.44 -21.47 18.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.13 -27.12 6.51 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.413 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.25 174.22 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 152' ' ' GLU . 38.2 mt -118.08 133.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.86 -167.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.75 -48.31 66.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.503 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -47.35 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.138 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.1 mp0 -70.91 -45.22 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -60.35 -31.23 70.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -67.96 -42.62 80.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.04 -39.87 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.514 ' O ' HG22 ' A' ' 160' ' ' VAL . 13.9 t80 -59.37 -49.87 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.39 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.87 71.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.76 89.67 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.357 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 160' ' ' VAL . 11.9 t -97.15 35.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.229 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.775 0.321 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 83' ' ' ARG . 11.1 p -173.58 -43.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 82' ' ' VAL . 22.0 ptt180 -67.87 -27.45 66.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.3 m 63.28 174.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 32.0 mmm -59.68 163.58 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -136.99 30.61 2.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -94.16 -34.61 12.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.61 -27.29 45.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -84.62 57.44 4.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.58 175.43 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.56 -177.36 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.459 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 87.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 p -95.63 -178.21 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HG2' HD11 ' A' ' 154' ' ' LEU . 13.8 mt-10 -63.88 -18.83 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -34.85 79.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 111.047 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.29 61.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 154' ' ' LEU . 6.1 mt -57.65 -30.03 65.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.1 p -62.98 -31.54 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.22 -34.39 76.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.35 -29.62 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.75 -25.4 61.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -58.24 7.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 111.028 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.19 -44.1 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.89 88.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.2 106.19 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -62.05 -54.46 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -76.23 -29.73 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.2 -6.36 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.339 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -25.19 5.81 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 38.0 m-85 -132.94 160.77 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 117' ' ' LEU . 32.1 mt -129.77 144.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -133.13 175.52 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.26 -44.47 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.1 -45.66 90.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.6 mt-10 -72.11 -36.43 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 112' ' ' ILE . 8.2 tp -70.4 -43.31 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.368 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.15 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.338 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 116' ' ' GLU . 17.0 mt -68.82 -52.66 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.2 ptm -61.24 -29.43 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 128' ' ' ILE . 2.7 mt -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.53 -29.81 68.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.58 85.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.3 p -60.59 167.2 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -35.88 16.86 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.23 132.87 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.5 p -78.41 111.44 14.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.614 HG13 HD22 ' A' ' 121' ' ' LEU . 24.7 mm -102.4 134.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.8 p -93.42 179.73 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 9.1 mt-10 -68.41 -40.76 81.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -39.78 88.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 136' ' ' LEU . 1.8 m-20 -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -73.52 -30.88 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.01 -30.7 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.7 mp -60.07 -38.04 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 117' ' ' LEU . 32.6 mmm -82.67 -28.31 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -57.57 -52.19 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -84.76 -18.75 34.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.12 -27.44 62.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -91.17 141.44 28.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -109.46 -40.47 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -87.59 -12.79 44.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 67.14 65.92 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -109.48 -29.83 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -20.23 8.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.661 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -128.08 165.28 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.335 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.05 144.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.9 p30 -134.61 -175.14 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.402 ' CE1' HD23 ' A' ' 154' ' ' LEU . 30.3 t80 -58.69 -44.45 90.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -60.03 -48.91 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -60.12 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -67.1 -47.91 69.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.69 -39.46 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.29 -42.86 99.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.1 mmt -70.76 -40.35 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.69 73.04 9.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.69 66.98 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.04 -48.44 86.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.838 0.351 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.83 0.348 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t 69.14 -67.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -111.01 -35.79 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.11 141.39 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 30.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 59.09 31.07 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.34 -28.27 69.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.36 40.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -100.38 30.74 3.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.36 39.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.17 125.54 8.56 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 99.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 p -100.33 -178.92 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.17 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -25.97 64.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.99 -40.0 75.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 97' ' ' LEU . 15.2 mt -58.32 -27.25 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -57.36 -30.27 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.07 -39.31 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.46 -31.64 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.99 -27.73 62.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -62.1 -52.83 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ptm -54.5 -43.04 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.08 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.35 -38.61 80.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.72 154.95 36.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -54.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.54 4.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.491 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 62.75 2.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -97.93 -24.1 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.15 -22.47 6.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.84 149.41 51.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 28.3 mt -129.54 145.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -133.01 -179.7 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.46 -31.78 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.32 -58.99 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -32.46 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.19 -37.08 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.13 -28.38 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.0 mt -71.32 -55.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.1 ptm -59.48 -31.63 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.427 HD13 HG12 ' A' ' 133' ' ' ILE . 66.4 mt -73.05 -28.57 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.72 -30.48 70.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.61 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.8 p -59.06 149.52 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.32 30.49 8.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.644 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.27 -178.48 4.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.5 p -108.55 95.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -111.98 149.96 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.3 p -128.53 166.08 19.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 mt-10 -58.79 -31.06 68.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -31.65 57.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 130' ' ' GLU . 8.0 mt -65.25 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.09 -31.42 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.08 -41.0 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.03 -40.24 88.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -27.52 57.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -56.73 -61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.062 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -76.27 -18.86 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.07 -29.32 60.79 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -80.11 143.57 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.297 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -115.04 -34.41 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.56 25.06 10.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.218 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 43.0 54.46 4.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.581 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -90.33 -29.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.26 11.53 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.538 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -128.2 174.46 9.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 31.2 mt -125.58 138.49 54.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -134.28 -172.39 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 154' ' ' LEU . 38.1 t80 -55.18 -44.79 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.237 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.18 -49.1 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.0 -43.85 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.27 -31.08 69.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 150' ' ' TYR . 3.3 mp -71.6 -43.53 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.76 -39.92 61.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.73 ' O ' HG22 ' A' ' 160' ' ' VAL . 45.0 t80 -63.02 -47.74 81.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.6 mmt -65.29 -43.85 89.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 75.09 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.83 75.79 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 156' ' ' PHE . 22.8 t -85.53 56.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 111.055 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.713 0.292 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 154' ' ' LEU . 4.3 mt -71.45 -28.36 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.8 p -57.19 -29.99 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.62 -37.1 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.99 -32.1 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.7 t80 -66.95 -45.74 76.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -59.47 -31.01 68.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -45.5 92.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -69.01 -40.73 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.15 155.74 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -56.18 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -95.66 -7.54 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.365 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.78 64.02 0.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -103.41 -27.12 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 -14.34 7.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.774 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.9 158.87 38.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 117' ' ' LEU . 20.7 mt -129.69 143.39 41.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 172.66 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.18 -38.04 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -48.45 70.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.4 mt-10 -66.28 -45.49 80.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 112' ' ' ILE . 7.9 tp -63.89 -30.45 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -64.71 -28.46 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.7 mt -70.79 -56.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -28.91 68.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.21 -31.12 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.31 -31.02 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.35 -31.37 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.6 p -60.37 159.27 10.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.99 -49.94 20.22 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.94 152.51 23.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -96.28 94.55 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 128' ' ' ILE . 3.6 mp -80.6 148.78 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 p -104.24 163.48 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.17 -30.97 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -36.23 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -30.51 71.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.1 mt -72.56 -30.64 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -58.03 -31.24 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.23 -34.16 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.21 -37.41 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.436 ' HE1' ' O ' ' A' ' 112' ' ' ILE . 1.3 mmt -80.29 -30.59 38.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.48 -50.95 71.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -84.77 -19.87 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.64 -28.29 51.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.18 125.6 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.19 -23.36 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -91.7 8.79 35.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.454 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 42.97 37.71 1.2 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.9 0.381 . . . . 0.0 111.559 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.63 -27.55 15.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.03 -20.87 9.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.568 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -128.06 169.49 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 152' ' ' GLU . 34.4 mt -117.91 141.36 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -134.38 -171.08 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -55.02 -49.44 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.184 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.91 -45.09 87.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 148' ' ' ILE . 15.6 mt-10 -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -47.12 87.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 97' ' ' LEU . 1.2 mm? -59.6 -31.2 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -35.47 24.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -73.39 -42.48 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -32.21 65.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 16.0 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.769 0.319 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.96 -30.07 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 p -59.67 -35.23 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.86 -34.93 75.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.92 -31.05 40.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.1 -39.5 94.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -60.32 -31.68 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mmm -60.39 -36.86 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -74.71 -45.3 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 141.89 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' HG21 ' A' ' 119' ' ' ILE . 3.6 tptt -78.87 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.981 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -108.25 18.38 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 51.29 63.51 2.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 111.264 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -95.07 -27.5 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.54 -16.4 8.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.647 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 149' ' ' ASP . 89.2 m-85 -131.72 162.9 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.661 HG21 HD13 ' A' ' 117' ' ' LEU . 8.5 mt -129.71 135.77 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -132.97 178.59 6.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -33.25 70.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.01 -47.34 52.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -69.73 -32.86 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.661 HD13 HG21 ' A' ' 112' ' ' ILE . 6.4 tp -78.11 -30.73 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.71 ' HG3' HD13 ' A' ' 133' ' ' ILE . 1.5 mtpm? -62.73 -28.86 70.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.695 HG21 ' HD3' ' A' ' 106' ' ' LYS . 12.0 mt -70.59 -54.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ptm -59.0 -29.14 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.2 mt -72.46 -28.63 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.6 -30.1 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.06 -47.84 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.7 p -59.89 158.62 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.44 29.13 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 128' ' ' ILE . 14.6 mt-10 -99.7 151.25 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.9 p -93.23 85.36 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.0 mp -104.81 130.9 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.42 161.33 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -58.43 -29.49 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.82 -37.72 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.87 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 130' ' ' GLU . 15.9 mt -68.9 -30.84 48.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.1 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -82.38 -32.04 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.47 -27.43 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.5 mtp -88.29 -24.26 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -55.58 -43.2 75.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 26.4 p-10 -70.31 -19.6 63.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 156' ' ' PHE . . . -97.96 -25.54 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.557 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -88.21 122.65 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.77 -22.42 10.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -85.83 -11.88 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.179 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 63.64 31.44 14.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.86 -28.2 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.6 -22.24 8.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.57 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.31 175.61 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.5 mt -118.25 142.12 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p30 -134.44 169.07 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.885 ' O ' HD13 ' A' ' 154' ' ' LEU . 88.5 t80 -58.0 -25.2 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.3 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -58.69 4.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.99 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -75.9 -33.21 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.049 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.58 -28.29 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.2 mp -66.53 -43.44 85.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -72.65 -36.71 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.433 ' CD2' ' HA2' ' A' ' 140' ' ' GLY . 15.5 t80 -67.17 -33.9 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.6 mmt -74.32 -35.15 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.711 0.291 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 154' ' ' LEU . 4.1 mt -58.05 -30.27 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 14.8 p -70.72 -32.14 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.59 -46.42 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.01 -29.67 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.26 -36.68 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -38.55 89.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.04 -37.68 88.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.415 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.96 -38.57 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -78.82 146.27 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 119' ' ' ILE . 2.2 tptt -111.12 -35.38 5.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.85 -23.76 33.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.91 39.81 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 111.05 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -100.35 -23.97 14.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 119.02 24.47 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.695 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.0 m-85 -157.58 155.86 30.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' A' ' 104' ' ' PHE . 6.9 mt -129.55 135.15 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -132.96 -176.95 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -47.35 86.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.347 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.34 -46.77 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.122 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -44.89 70.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.589 HD23 ' CG2' ' A' ' 133' ' ' ILE . 32.2 tp -61.52 -33.13 73.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.754 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 106' ' ' LYS . 17.9 mt -74.68 -31.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 ttp -68.8 -44.41 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.0 mt -75.69 -29.39 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.65 -27.91 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.13 90.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.1 p -58.93 174.29 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.36 34.78 5.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 128' ' ' ILE . 49.8 mt-10 -106.61 171.11 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.3 p -106.07 48.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 126' ' ' GLU . 1.9 mp -67.69 150.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.6 p -111.86 169.63 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -60.86 -31.1 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.66 -37.05 85.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.07 -42.58 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.1 mt -62.49 -30.34 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.58 -35.18 78.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.0 -33.88 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.15 -35.57 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -33.57 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.5 -52.82 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -83.09 -24.84 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.02 -29.51 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.25 114.16 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -106.39 2.05 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.436 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.34 -19.29 13.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.51 35.63 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -96.4 -24.43 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.1 -23.77 7.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.619 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -128.33 177.98 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.06 140.42 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -134.35 161.5 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 67.0 t80 -52.57 -27.38 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -56.51 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 0.0 111.033 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -24.49 40.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -56.65 -43.93 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -59.8 -29.48 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.94 -27.58 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.49 -24.28 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.09 18.12 19.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.224 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.278 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.757 0.313 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 154' ' ' LEU . 18.8 mt -68.76 -31.21 70.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -68.23 -39.6 82.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.32 -36.68 78.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.54 -31.08 68.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -69.4 -32.9 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -70.15 -32.37 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -31.02 62.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.36 -41.79 27.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.54 123.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -53.3 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -76.12 -25.87 55.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.01 39.99 5.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.892 0.377 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -93.39 -21.26 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 0.45 8.16 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -144.67 158.05 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.1 mt -129.79 146.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -133.09 177.32 7.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 134' ' ' GLU . 5.8 mt -58.64 -29.89 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -51.61 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.7 OUTLIER -71.59 -24.26 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 136' ' ' LEU . 13.4 tp -79.3 -32.89 43.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.246 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 133' ' ' ILE . 1.2 ptmt -72.32 -29.1 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 116' ' ' GLU . 12.2 mt -71.96 -48.37 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 ptm -62.72 -29.42 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 128' ' ' ILE . 6.0 tp -71.91 -27.28 62.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -56.0 -28.57 57.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.08 -28.8 64.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 121' ' ' LEU . 32.9 p -58.64 166.78 1.7 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.02 -28.24 29.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 128' ' ' ILE . 7.5 pt-20 -87.55 156.09 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.1 p -87.47 124.63 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.576 HD11 ' OE2' ' A' ' 126' ' ' GLU . 27.2 mm -112.31 138.34 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 75.9 p -95.72 159.27 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 15.5 mt-10 -59.17 -30.76 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.25 -32.52 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -30.3 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 118' ' ' LYS . 18.6 mt -74.69 -23.05 17.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.579 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.3 mm-40 -54.32 -41.96 69.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.001 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.51 -28.94 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.443 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -59.05 -40.38 84.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.657 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -83.02 -29.6 28.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -58.88 -53.46 58.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -75.5 -24.05 56.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.98 -27.68 52.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.04 116.18 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -109.26 -24.77 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.49 -21.13 32.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 67.31 52.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -107.99 -23.64 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -26.63 6.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -132.5 175.38 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.657 HD12 ' HE2' ' A' ' 137' ' ' MET . 13.5 mt -118.06 141.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -134.31 -178.47 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.85 -42.11 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -43.05 98.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.17 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.62 -34.81 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.89 -36.17 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.49 -48.58 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -59.24 -35.97 74.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -84.17 -12.55 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.84 0.352 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.3 mt -56.53 -30.84 63.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.9 p -60.96 -39.67 90.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.26 -38.72 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 97' ' ' LEU . 4.6 mt -63.58 -36.87 85.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -71.92 -32.43 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 108' ' ' ALA . 22.2 mmm180 -61.41 -52.62 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.022 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.8 ptp -55.86 -44.32 77.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.424 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.2 m-85 -57.91 -37.8 74.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.01 156.15 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.89 -56.12 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.49 -6.36 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 102' ' ' ARG . . . 63.18 59.71 1.26 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -97.6 -24.16 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 -19.75 6.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.84 155.65 45.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.1 mt -129.76 141.15 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -132.96 -177.72 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 134' ' ' GLU . 7.5 mt -58.09 -43.2 86.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.94 -54.17 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -60.52 -33.52 72.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 133' ' ' ILE . 9.1 tp -79.57 -29.28 41.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 133' ' ' ILE . 2.9 ttpt -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.5 mt -72.29 -53.26 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ptm -58.72 -30.02 67.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -75.82 -32.64 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.0 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.3 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.7 p -60.35 178.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.66 -31.2 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.47 131.31 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -79.15 91.43 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 121' ' ' LEU . 29.4 mm -81.76 155.72 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 128' ' ' ILE . 29.2 p -104.91 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.1 tt0 -64.93 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -47.52 74.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.81 -35.98 79.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 121' ' ' LEU . 13.7 mt -73.8 -29.82 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.518 ' CG ' HD21 ' A' ' 114' ' ' LEU . 18.7 mt-10 -58.88 -25.9 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -57.31 -47.46 81.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.04 -31.02 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.69 -58.06 8.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -80.15 -18.1 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.09 -27.18 62.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -96.66 131.68 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -113.42 -28.96 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -90.62 -2.91 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -77.59 -29.13 51.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.89 -26.42 7.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -128.24 178.64 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.08 149.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.078 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.48 -172.78 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -64.18 -46.5 83.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -47.66 83.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.91 -45.53 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.441 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.49 -31.71 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.58 -36.34 17.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -63.97 -30.08 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -46.95 9.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.707 ' OE1' HD12 ' A' ' 100' ' ' LEU . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.791 0.329 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 ' HG2' ' A' ' 157' ' ' MET . 28.5 mt -72.99 -30.61 63.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -59.69 -39.38 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.06 -32.82 30.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.707 HD12 ' OE1' ' A' ' 96' ' ' GLU . 8.4 mt -72.95 -30.68 64.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.06 -32.48 73.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -33.53 75.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.9 mtt -59.99 -41.08 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -64.13 -39.33 93.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.43 134.82 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE2' HG22 ' A' ' 119' ' ' ILE . 7.4 mmmt -88.94 -58.55 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 38.0 p30 -85.44 -15.02 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.267 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.73 75.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.882 0.372 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.78 -21.62 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -25.69 5.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -129.82 168.07 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.57 HG21 HD13 ' A' ' 117' ' ' LEU . 8.9 mt -129.7 143.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -133.02 175.83 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 133' ' ' ILE . 12.7 tp -60.67 -37.83 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.14 -55.3 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -61.8 -42.52 99.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 121' ' ' LEU . 9.2 tp -67.03 -31.34 71.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.65 ' HG2' HD13 ' A' ' 133' ' ' ILE . 3.8 mtpm? -64.49 -27.72 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.529 HG22 ' HE2' ' A' ' 106' ' ' LYS . 21.1 mt -71.71 -51.69 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 ptm -62.73 -29.2 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -66.23 -32.46 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -60.0 -31.4 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.3 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -60.98 143.11 55.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.47 -34.19 73.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.28 143.13 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 p -85.4 111.66 20.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mm -110.81 138.65 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -91.25 173.61 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.777 ' HA ' HD12 ' A' ' 133' ' ' ILE . 16.0 mt-10 -67.7 -31.46 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -37.36 72.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.9 mt -69.41 -32.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.35 -31.87 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.409 ' HE3' HD12 ' A' ' 148' ' ' ILE . 1.4 ttm -87.71 -32.55 19.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.37 -43.89 96.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -84.92 -18.66 33.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.387 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.78 -27.58 50.03 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -89.31 138.87 31.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -110.44 -41.61 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -88.28 -14.55 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 66.81 71.87 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.07 -23.54 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.99 -26.91 6.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -131.24 174.36 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.409 HD12 ' HE3' ' A' ' 137' ' ' MET . 14.2 mt -118.52 148.13 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -134.38 -178.07 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.94 -45.57 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.73 -47.54 85.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.09 -45.6 73.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.4 -33.25 73.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.16 -47.53 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.9 -37.31 78.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.26 -45.41 88.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.422 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -74.27 -31.47 62.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.792 0.33 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 157' ' ' MET . 4.3 mt -64.23 -27.78 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -30.81 65.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -38.34 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.8 mm? -58.88 -37.43 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 112' ' ' ILE . 84.2 t80 -68.85 -42.31 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -59.29 -30.23 68.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -39.32 93.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.82 -43.38 36.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.64 115.19 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -67.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -76.31 -20.81 56.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.82 72.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.224 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.4 -16.76 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.04 -24.27 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.87 171.79 12.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 101' ' ' PHE . 35.2 mt -129.77 138.74 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.04 171.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -44.28 92.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -71.55 -36.51 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.437 HD23 HG22 ' A' ' 133' ' ' ILE . 12.8 tp -68.56 -30.72 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -67.18 -26.95 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.2 mt -70.19 -46.13 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -64.86 -27.82 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 128' ' ' ILE . 4.6 tt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.75 -31.34 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.04 83.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.9 p -60.32 147.5 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.58 28.5 13.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.76 173.7 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.3 p -102.81 77.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.717 ' HB ' HD21 ' A' ' 121' ' ' LEU . 24.2 mt -110.33 149.34 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 52.0 p -109.03 -174.04 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.868 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -75.9 -31.47 59.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -31.19 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -36.43 79.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.9 mt -63.6 -30.35 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.95 -30.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.49 -33.24 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -32.57 72.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -31.08 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -50.62 72.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -84.74 -22.38 29.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.83 -27.34 58.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 126.67 38.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -109.99 -29.73 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.988 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.58 -20.46 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 67.58 36.77 3.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -89.31 -20.78 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.29 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -130.76 171.04 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -118.09 140.37 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -134.26 -172.27 2.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.691 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 13.6 t80 -57.09 -50.94 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 154' ' ' LEU . 12.3 m-20 -56.22 -38.76 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.239 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -80.06 -36.14 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.069 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.42 -36.71 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.691 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -58.51 -35.29 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.78 -36.11 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -59.26 -30.0 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -102.16 24.15 10.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.0 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.393 -179.854 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.779 0.324 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.45 -28.96 63.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -58.06 -30.3 66.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -41.76 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.51 -45.13 63.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.98 -42.95 95.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -32.56 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.65 -42.6 81.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.12 -34.59 77.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 149.25 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.402 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -91.62 -57.69 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -103.1 8.73 38.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 65.33 1.53 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.29 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -103.87 -25.71 12.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.33 6.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.624 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 25.7 m-85 -129.7 153.25 48.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.597 HG21 HD13 ' A' ' 117' ' ' LEU . 1.9 mp -129.72 148.16 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.98 178.32 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.504 HD12 ' SD ' ' A' ' 137' ' ' MET . 3.9 mp -59.04 -44.72 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.2 -52.74 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.02 -45.79 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 112' ' ' ILE . 8.4 tp -63.34 -33.13 74.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.402 HG21 ' HD3' ' A' ' 106' ' ' LYS . 30.6 mt -69.67 -54.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -57.03 -27.3 61.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 118' ' ' LYS . 12.1 mt -72.29 -30.72 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -62.9 -30.91 71.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.43 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.5 p -63.33 163.78 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.54 -36.32 8.07 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.52 153.52 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.6 p -89.78 110.82 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.477 HG13 HD22 ' A' ' 121' ' ' LEU . 21.6 mm -85.44 140.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.7 p -78.69 153.19 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.61 -31.13 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.18 -35.13 80.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.46 -33.3 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 121' ' ' LEU . 22.3 mt -76.28 -30.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 114' ' ' LEU . 11.5 mt-10 -74.4 -32.92 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.42 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.71 -30.67 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.504 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -79.48 -31.66 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -67.23 -60.61 2.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -68.72 -18.38 64.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.74 -26.95 33.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.577 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.92 112.58 24.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -113.31 -17.56 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -85.79 -13.21 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 64.54 31.16 12.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.955 0.407 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -90.61 -27.37 19.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.69 -23.95 8.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.551 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -128.33 -178.24 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 137' ' ' MET . 15.4 mt -117.91 143.74 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 20.5 p30 -134.53 173.52 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.847 ' O ' HD13 ' A' ' 154' ' ' LEU . 12.2 t80 -61.37 -25.69 67.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.26 -57.7 7.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.24 -35.35 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.61 -29.32 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.1 mp -66.45 -33.54 75.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -85.18 -39.84 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -60.09 -44.91 94.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.769 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -30.89 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 24.6 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 154' ' ' LEU . 7.4 mt -55.73 -29.11 58.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.6 p -58.71 -30.48 67.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.9 -30.09 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.69 -31.38 28.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.08 -46.86 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -30.63 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 mtt -66.45 -44.21 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.36 -45.33 93.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.75 131.81 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.622 ' HG3' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -75.04 -65.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -86.6 -10.55 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.27 74.9 0.39 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.987 0.422 . . . . 0.0 111.035 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.94 -21.86 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.24 -23.31 6.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 91.9 m-85 -129.88 162.97 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.65 145.16 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -137.43 -175.5 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 134' ' ' GLU . 3.9 mm? -59.55 -38.39 80.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -67.2 -50.68 60.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.3 tp10 -63.91 -34.49 78.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 136' ' ' LEU . 8.1 tp -78.87 -29.9 44.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.29 -29.82 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.7 mt -70.23 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 121' ' ' LEU . 3.5 ppp? -55.02 -31.63 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -76.21 -30.18 57.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.001 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.86 84.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.2 p -59.84 179.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.62 -25.17 6.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.22 142.04 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -82.6 86.78 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.591 HG21 HD21 ' A' ' 121' ' ' LEU . 4.3 mt -98.79 133.94 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -87.63 178.88 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 133' ' ' ILE . 19.7 tt0 -72.04 -31.58 66.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.31 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.826 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.4 mt -75.71 -28.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.7 mt-10 -65.18 -51.63 59.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -29.3 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.061 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.19 -34.66 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.0 ttm -85.0 -17.94 36.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -62.61 1.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.23 -21.25 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.93 -27.03 42.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -96.5 133.88 40.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 111.019 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -134.38 25.21 3.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.64 -5.45 9.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.419 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.83 29.58 19.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.851 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -105.43 -18.15 14.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.25 26.64 17.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -156.51 166.65 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.1 mt -120.13 143.98 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.8 p30 -134.45 -175.88 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD21 ' A' ' 154' ' ' LEU . 8.9 t80 -59.25 -43.41 92.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -42.81 99.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.59 -36.38 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.53 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 97' ' ' LEU . 3.5 mm? -62.2 -53.94 48.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.15 -42.33 94.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -60.31 -44.03 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.441 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 79.3 mttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.529 ' OE2' HD11 ' A' ' 100' ' ' LEU . 1.5 pp20? . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.675 0.274 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 157' ' ' MET . 12.6 mt -48.98 -28.1 3.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -59.66 -32.23 70.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.63 -33.75 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.529 HD11 ' OE2' ' A' ' 96' ' ' GLU . 5.1 mt -74.27 -29.73 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.68 -27.41 65.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.05 -54.24 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.097 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.0 ptm -55.36 -43.02 74.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.14 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.662 ' HB3' HD13 ' A' ' 112' ' ' ILE . 4.9 m-85 -56.74 -30.87 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.41 151.4 30.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.59 -53.89 3.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -95.89 -8.04 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.3 52.04 2.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -91.27 -22.78 20.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.06 -20.2 6.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.9 m-85 -129.92 163.25 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 104' ' ' PHE . 22.5 mt -129.68 145.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.11 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.92 -46.18 88.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.88 -53.48 53.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.809 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -62.24 -31.15 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 133' ' ' ILE . 18.3 tp -78.9 -30.37 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.89 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 116' ' ' GLU . 8.7 mt -67.83 -48.4 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.7 ptm -59.6 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.565 HD12 HG13 ' A' ' 128' ' ' ILE . 2.2 mm? -72.32 -29.98 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -57.92 -30.81 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.19 69.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.4 p -65.48 164.87 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.27 -44.35 8.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.455 ' OE1' HD11 ' A' ' 128' ' ' ILE . 13.4 pt-20 -70.56 152.63 43.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.731 0.301 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.6 p -97.33 102.87 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.565 HG13 HD12 ' A' ' 121' ' ' LEU . 30.6 mm -86.18 147.13 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.4 p -93.22 166.49 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.31 -31.34 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -36.56 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -39.58 79.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.538 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.2 mm -73.85 -29.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -31.01 68.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.97 -33.09 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -32.47 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.417 ' HE2' HG13 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -88.04 -31.76 19.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -60.6 -48.55 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -84.14 -17.4 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.365 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.65 -27.02 52.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.52 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -89.75 126.58 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -112.95 -33.29 6.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -87.75 -11.4 48.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 66.11 60.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -109.8 -28.43 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.33 10.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.562 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -128.23 167.66 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.417 HG13 ' HE2' ' A' ' 137' ' ' MET . 37.3 mt -118.28 146.37 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 5.6 p-10 -134.56 -173.77 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 18.3 t80 -57.87 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.17 -48.55 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -70.24 -40.16 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.09 -41.16 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -37.51 85.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.41 -37.34 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.46 -47.88 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.731 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.67 -38.82 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.7 tttp . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 179.866 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.806 0.336 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.35 -29.7 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 t -59.87 -30.28 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.3 -43.42 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.05 -33.94 72.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 46.9 t80 -70.21 -40.68 74.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -58.94 -30.34 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.4 mtt -73.21 -31.52 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.03 -33.0 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.28 154.14 42.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -97.5 -47.5 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -105.06 -4.49 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.86 68.29 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.87 -26.75 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.08 -20.84 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.67 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 11.4 m-85 -129.73 151.92 49.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.9 mt -129.86 149.51 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -134.04 -179.14 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.84 -31.19 69.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.64 -56.6 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.22 -32.96 74.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.29 -28.7 63.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -66.12 -27.02 67.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.46 HG21 ' HD3' ' A' ' 106' ' ' LYS . 42.4 mt -71.81 -33.75 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.217 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.56 -29.41 33.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.991 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -75.81 -40.34 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.08 -46.31 89.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.66 72.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.2 p -75.82 148.36 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.53 32.54 6.41 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.29 172.35 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.5 p -102.99 72.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mt -112.23 121.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.43 166.54 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.17 -39.38 82.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.27 -31.01 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -30.08 71.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 121' ' ' LEU . 31.6 mt -69.24 -35.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.68 -35.37 79.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.82 -31.77 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.64 -50.01 75.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -27.14 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -56.68 -63.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -75.39 -19.0 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.265 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.86 -27.23 57.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.404 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -89.53 152.72 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -124.43 -41.25 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -91.79 -0.38 57.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.339 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 35.93 19.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.75 -30.34 59.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.53 11.08 20.45 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.678 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -155.17 176.94 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 43.0 mt -127.3 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 14.1 p-10 -134.27 -173.57 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.22 -41.26 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.54 -51.2 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.42 -40.91 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CE1' ' HE1' ' A' ' 157' ' ' MET . 21.6 t80 -59.36 -34.75 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.81 -50.76 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.02 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -59.41 -35.3 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.909 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.422 ' HE1' ' CE1' ' A' ' 153' ' ' PHE . 3.5 tpp -86.79 -22.91 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.476 HD13 HD13 ' A' ' 154' ' ' LEU . 16.1 mt -58.8 -29.85 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.44 -43.74 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -35.72 75.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 35.4 t80 -72.51 -27.39 62.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -51.67 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.266 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.6 ptm -53.97 -42.41 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.107 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.737 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.9 m-85 -59.64 -30.05 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.92 137.93 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -84.19 -52.77 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -98.2 -9.9 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.14 63.49 0.66 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -101.83 -21.75 14.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.43 6.85 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.4 m-85 -129.72 159.03 37.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.9 mt -129.63 142.82 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -137.49 174.01 11.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.649 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.5 mm? -58.87 -31.07 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.44 -52.6 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.2 mt-10 -71.81 -26.99 62.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.631 HD22 ' SD ' ' A' ' 137' ' ' MET . 12.5 tp -77.38 -36.34 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.27 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -66.23 -27.77 68.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.5 mt -72.52 -47.26 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.401 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.4 ptm -68.4 -30.78 69.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 HG12 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -75.83 -30.05 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.03 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.07 -29.9 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -58.8 179.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.37 4.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.9 138.6 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 53.4 p -78.98 94.39 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 31.6 mm -106.06 135.13 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 m -88.39 163.14 16.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.15 76.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.94 -32.69 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.99 -29.96 70.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.566 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.1 mt -75.86 -29.99 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.595 ' N ' HD11 ' A' ' 114' ' ' LEU . 1.6 mt-10 -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.41 -35.48 81.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -31.9 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.649 ' HG3' HD22 ' A' ' 114' ' ' LEU . 47.0 mmm -88.14 -24.46 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -54.71 -49.78 69.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.153 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -84.86 -18.89 33.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.367 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.04 -27.04 46.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -97.47 121.12 39.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -108.79 17.08 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -117.17 -15.26 10.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.292 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.28 29.75 11.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -96.41 -23.94 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.84 19.64 11.71 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.669 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -156.93 164.8 37.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.42 146.35 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.5 p30 -134.38 -174.92 3.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.992 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.9 -46.99 87.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.99 -48.23 82.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.1 -42.11 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' A' ' 157' ' ' MET . 61.0 t80 -61.96 -35.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.476 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.3 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.84 -42.95 94.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE2' ' A' ' 153' ' ' PHE . 43.2 mmm -71.87 -39.84 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.7 tptp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.733 HD21 ' HG2' ' A' ' 157' ' ' MET . 61.9 mt -59.47 -29.78 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 p -58.55 -30.14 66.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.52 -35.27 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 97' ' ' LEU . 51.5 mt -66.03 -32.5 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -72.69 -29.73 63.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -63.36 -57.04 11.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -58.88 -44.49 91.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -33.13 70.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.33 118.7 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.46 ' NZ ' HG22 ' A' ' 119' ' ' ILE . 3.6 tptt -68.43 -44.59 74.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -91.42 -25.92 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.33 39.8 6.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.55 -13.85 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.01 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.69 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 21.4 m-85 -138.8 152.98 48.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.73 145.06 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -132.93 -176.21 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -60.37 -28.3 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.5 -64.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.4 mt-10 -58.24 -23.96 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.585 HD22 ' SD ' ' A' ' 137' ' ' MET . 24.3 tp -78.94 -46.29 18.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -61.28 -30.12 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -68.54 -32.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.33 -38.0 87.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.14 -29.35 57.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.45 -30.81 65.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.71 69.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.5 p -75.14 170.97 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.43 -27.87 41.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.63 141.13 55.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.4 p -104.67 98.55 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.1 mm -99.88 129.52 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 t -74.2 160.26 31.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -33.17 74.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.74 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.4 -29.74 59.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 114' ' ' LEU . 35.3 mm -64.3 -32.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.403 ' HG2' HD11 ' A' ' 114' ' ' LEU . 1.3 mt-10 -65.01 -43.61 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.14 -31.33 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -42.99 90.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.585 ' SD ' HD22 ' A' ' 117' ' ' LEU . 33.5 mmm -87.82 -22.67 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -84.85 -18.58 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.95 -28.35 54.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.479 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -72.87 133.08 44.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -120.37 -33.85 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.334 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -95.82 16.23 18.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.311 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 43.08 31.66 0.37 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 111.518 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -84.0 -29.57 26.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.97 -19.12 11.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -128.05 177.72 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 152' ' ' GLU . 29.2 mt -124.03 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.9 p30 -134.32 -169.25 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -55.41 -51.37 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -46.83 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 148' ' ' ILE . 6.0 mt-10 -67.14 -43.68 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.69 -30.55 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -75.27 -52.46 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.3 -42.66 87.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -59.2 -37.36 77.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.733 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.16 -24.51 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.0 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.839 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.668 0.27 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -51.98 -27.01 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.101 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.9 p -58.48 -31.14 67.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.79 -36.65 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.5 -30.42 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -72.11 -22.75 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -52.67 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.168 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 ptm -54.03 -42.39 69.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.71 -31.83 66.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.07 127.15 41.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.58 -67.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -63.16 -23.91 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.18 49.07 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.78 -20.59 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.02 -22.27 6.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.601 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -130.14 153.51 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 117' ' ' LEU . 38.0 mt -129.64 149.51 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -132.94 179.34 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 114' ' ' LEU . 7.0 mp -58.81 -27.35 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.726 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -54.72 -30.58 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 121' ' ' LEU . 6.8 tp -79.1 -30.28 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.0 mt -67.67 -57.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.87 -29.24 64.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.912 HD13 HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -76.11 -33.35 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.99 -29.07 69.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.15 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -60.32 173.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -85.68 -29.41 26.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.0 131.63 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 p -81.14 104.82 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.525 HG21 ' CD1' ' A' ' 133' ' ' ILE . 24.6 mm -101.34 152.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 167.4 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.29 -30.53 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -32.72 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -41.88 64.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 121' ' ' LEU . 34.8 mm -65.46 -26.93 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -58.98 -31.32 68.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.59 -38.46 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.68 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.646 ' SD ' HD22 ' A' ' 117' ' ' LEU . 69.5 mmm -74.85 -28.97 60.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -56.62 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.4 -20.07 44.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.47 52.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -82.21 113.46 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.24 -26.76 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -84.85 -17.65 37.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.27 31.08 8.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -92.44 -24.72 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.12 -20.19 8.56 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.643 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -128.2 173.16 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.7 mt -118.18 150.38 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.59 -175.81 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -59.47 -42.15 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -49.67 74.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.45 -41.1 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.19 -41.31 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -64.81 -50.03 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -46.94 77.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -60.24 -31.35 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 45.4 mmm -103.88 23.65 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.38 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.77 0.319 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.6 -28.92 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -58.79 -30.91 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.31 -38.8 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.97 -33.25 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -63.64 -39.45 94.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.53 -29.56 69.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmm -58.24 -36.7 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.98 -31.22 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.38 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -101.16 -62.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.4 p30 -83.88 -18.29 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.66 47.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.88 -18.01 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -22.07 6.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.607 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.2 m-85 -130.75 165.79 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.0 mt -129.63 143.91 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -133.15 174.4 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.21 63.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -39.73 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 119' ' ' ILE . 33.6 mt-10 -71.82 -38.17 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 121' ' ' LEU . 17.9 mt -68.88 -38.22 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -60.24 -31.11 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 116' ' ' GLU . 13.3 mt -73.63 -58.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -58.94 -29.68 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.706 HD22 HG13 ' A' ' 128' ' ' ILE . 17.7 mt -75.53 -30.27 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.67 -30.16 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.06 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -59.94 172.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.62 -40.28 6.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 130.94 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -71.06 105.04 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.706 HG13 HD22 ' A' ' 121' ' ' LEU . 26.7 mm -95.13 118.22 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -176.93 5.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.1 mm-40 -62.52 -44.25 96.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -33.73 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.651 ' HB3' HG23 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -64.15 -39.43 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.0 mt -68.6 -30.72 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.77 -34.13 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.51 -33.62 74.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.472 HD22 HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -65.56 -38.57 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -28.36 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -57.82 -51.95 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -84.88 -19.21 32.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.321 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.22 -39.94 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 141.63 38.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -115.91 -39.18 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.5 p30 -96.88 -3.68 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.2 t30 62.35 61.73 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.983 0.42 . . . . 0.0 110.764 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -101.09 -24.35 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.11 -27.56 6.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -134.9 -178.86 5.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.2 mt -127.53 146.69 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.2 p30 -134.04 177.33 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.541 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.3 t80 -54.95 -52.49 62.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.094 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -53.21 -40.07 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.24 -31.97 38.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 157' ' ' MET . 1.8 t80 -72.01 -31.55 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 21.5 mt -57.86 -35.12 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.8 -44.3 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.44 -41.16 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -77.53 -33.12 54.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.6 tttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.95 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.19 84.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -35.12 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.82 -37.2 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -60.05 -35.52 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.51 -33.29 74.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.25 136.29 49.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.38 -64.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -96.04 14.82 22.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.269 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.81 60.14 3.99 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 17.03 22.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 64.84 17.17 62.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.76 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 78.4 m-85 -157.2 160.94 39.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.4 mt -131.75 137.91 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.11 178.89 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.4 OUTLIER -61.41 -29.55 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -81.79 -60.94 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.1 mt-10 -55.06 -28.2 50.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 121' ' ' LEU . 29.2 tp -79.37 -29.94 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 133' ' ' ILE . 2.8 tmtt? -75.49 -29.8 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.8 mt -69.61 -33.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' HD22 ' A' ' 121' ' ' LEU . 3.4 ptm -79.03 -27.19 43.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.017 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.771 HD12 HG13 ' A' ' 128' ' ' ILE . 1.8 mm? -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.75 -29.48 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -70.24 160.92 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.86 -39.89 12.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.21 160.93 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -99.77 117.34 33.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.771 HG13 HD12 ' A' ' 121' ' ' LEU . 24.2 mm -110.98 140.11 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 p -98.82 166.59 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.5 mt-10 -60.36 -28.7 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -47.55 81.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -40.03 93.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 130' ' ' GLU . 4.6 mt -76.05 -27.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.702 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -61.15 -53.23 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.924 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.87 -29.22 69.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.05 -31.74 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -59.26 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.05 -18.67 42.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.24 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.71 -27.75 58.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.69 141.5 28.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -116.05 -39.22 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -85.79 -17.68 35.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.8 t30 68.04 69.4 0.33 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.19 -22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.15 -26.24 6.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -135.7 177.68 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.91 153.79 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -134.44 -173.55 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 154' ' ' LEU . 27.8 t80 -65.14 -56.64 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.39 -31.07 54.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.073 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.04 -51.08 9.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.75 -31.87 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 150' ' ' TYR . 6.8 mp -60.26 -45.48 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -74.88 -39.4 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -59.58 -29.44 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.93 21.58 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.333 -0.137 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.331 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.727 0.299 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.19 -30.68 66.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -65.67 -31.03 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.51 -50.32 70.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.68 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.16 -41.14 92.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -60.73 -31.57 70.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtp -69.95 -32.95 71.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.425 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.4 m-85 -74.36 -33.4 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -82.39 146.07 29.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HE2' HD13 ' A' ' 119' ' ' ILE . 4.5 tptt -102.91 -41.0 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -84.57 -20.26 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.84 40.66 7.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.386 . . . . 0.0 111.03 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.46 -25.72 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.98 -10.97 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.753 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -129.92 158.77 38.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.425 HD13 ' HB3' ' A' ' 104' ' ' PHE . 23.0 mt -129.94 147.25 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -135.11 -175.27 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.3 -32.81 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.5 -57.03 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.38 -26.66 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 136' ' ' LEU . 47.7 tp -80.47 -30.4 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.97 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -73.27 -46.71 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 120' ' ' MET . 2.7 pp -57.65 -42.58 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.28 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.724 ' N ' HD12 ' A' ' 119' ' ' ILE . 10.0 ptm -67.02 -29.95 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.2 mm? -74.15 -31.58 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -60.39 -30.03 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.04 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.3 p -58.77 158.14 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.16 17.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.48 144.92 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.5 p -69.69 110.02 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 121' ' ' LEU . 24.8 mm -85.51 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 132' ' ' ASP . 11.8 t -106.19 157.48 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.1 mt-10 -60.46 -32.05 71.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -35.42 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.518 ' H ' HG23 ' A' ' 129' ' ' THR . 0.5 OUTLIER -76.02 -45.94 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 130' ' ' GLU . 6.3 mt -62.67 -30.16 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.9 -32.96 65.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.99 -27.96 63.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.577 ' CB ' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.15 -37.79 72.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -26.88 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -57.02 -52.53 64.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 23.3 p-10 -84.77 -21.2 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.86 -27.41 58.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -91.91 115.68 28.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -109.45 -26.8 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.36 -18.78 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 68.33 50.31 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -103.69 -27.39 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -27.11 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -130.69 174.58 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 51.3 mt -119.12 140.26 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -134.42 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 154' ' ' LEU . 33.1 t80 -56.12 -43.93 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.91 83.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.87 -42.34 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.19 -39.92 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 150' ' ' TYR . 5.1 mp -60.3 -34.31 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.57 -47.7 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CD1' ' O ' ' A' ' 139' ' ' ASP . 77.6 t80 -59.92 -30.43 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 9.0 mmt -83.08 -27.09 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.1 mttm . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 100' ' ' LEU . 53.8 mm-40 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.857 0.36 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 154' ' ' LEU . 17.2 mt -76.11 -35.11 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -61.09 -32.52 72.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.8 -34.39 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 96' ' ' GLU . 1.7 mt -69.68 -32.63 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.88 -28.89 63.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.14 -52.38 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.5 ptp -57.15 -43.64 82.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -58.2 -31.79 67.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 174.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -114.99 -48.1 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -113.51 10.99 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.39 58.76 4.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -96.3 -28.69 14.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.04 -15.74 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -134.28 154.74 51.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 104' ' ' PHE . 7.9 mt -129.73 141.9 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -135.05 -175.78 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.48 HD21 ' HG3' ' A' ' 134' ' ' GLU . 0.9 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.75 -54.66 10.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 119' ' ' ILE . 16.1 mt-10 -71.69 -25.38 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.65 -34.88 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -67.63 -28.39 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 116' ' ' GLU . 19.0 mt -74.58 -31.05 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 121' ' ' LEU . 3.7 ttp -64.05 -55.31 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.42 HD12 ' CE ' ' A' ' 120' ' ' MET . 8.9 mp -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -56.94 -30.48 64.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.28 87.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -60.56 171.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.21 27.99 16.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' A' ' 128' ' ' ILE . 42.1 mt-10 -106.97 140.82 39.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.6 p -94.2 86.24 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.7 mp -100.17 153.45 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -106.89 167.64 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.97 -30.77 69.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.08 -36.08 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 -29.82 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.99 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.32 -31.57 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.196 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' HD21 ' A' ' 114' ' ' LEU . 43.8 mt-10 -68.27 -30.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.75 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -41.92 92.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -30.04 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -59.92 -58.44 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.61 -24.44 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.38 -27.44 73.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.58 138.8 34.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -110.76 -40.51 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -86.87 -15.27 39.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 t30 68.21 53.32 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -95.44 -21.47 18.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.13 -27.12 6.51 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.413 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.25 174.22 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 152' ' ' GLU . 38.2 mt -118.08 133.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.86 -167.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.75 -48.31 66.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.503 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -47.35 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.138 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.1 mp0 -70.91 -45.22 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -60.35 -31.23 70.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -67.96 -42.62 80.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.04 -39.87 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -59.37 -49.87 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.39 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.677 0.275 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 154' ' ' LEU . 6.1 mt -57.65 -30.03 65.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.1 p -62.98 -31.54 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.22 -34.39 76.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.35 -29.62 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.75 -25.4 61.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -58.24 7.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 111.028 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.19 -44.1 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.89 88.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.2 106.19 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -62.05 -54.46 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -76.23 -29.73 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.2 -6.36 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.339 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -25.19 5.81 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 38.0 m-85 -132.94 160.77 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 117' ' ' LEU . 32.1 mt -129.77 144.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -133.13 175.52 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.26 -44.47 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.1 -45.66 90.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.6 mt-10 -72.11 -36.43 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 112' ' ' ILE . 8.2 tp -70.4 -43.31 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.368 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.15 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.338 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 116' ' ' GLU . 17.0 mt -68.82 -52.66 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.2 ptm -61.24 -29.43 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 128' ' ' ILE . 2.7 mt -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.53 -29.81 68.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.58 85.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.3 p -60.59 167.2 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -35.88 16.86 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.23 132.87 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.5 p -78.41 111.44 14.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.614 HG13 HD22 ' A' ' 121' ' ' LEU . 24.7 mm -102.4 134.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.8 p -93.42 179.73 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 9.1 mt-10 -68.41 -40.76 81.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -39.78 88.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 136' ' ' LEU . 1.8 m-20 -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -73.52 -30.88 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.01 -30.7 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.7 mp -60.07 -38.04 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 117' ' ' LEU . 32.6 mmm -82.67 -28.31 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -57.57 -52.19 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -84.76 -18.75 34.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.12 -27.44 62.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -91.17 141.44 28.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -109.46 -40.47 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -87.59 -12.79 44.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 67.14 65.92 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -109.48 -29.83 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -20.23 8.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.661 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -128.08 165.28 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.335 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.05 144.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.9 p30 -134.61 -175.14 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.402 ' CE1' HD23 ' A' ' 154' ' ' LEU . 30.3 t80 -58.69 -44.45 90.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -60.03 -48.91 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -60.12 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -67.1 -47.91 69.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.69 -39.46 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.29 -42.86 99.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.1 mmt -70.76 -40.35 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.706 0.288 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 97' ' ' LEU . 15.2 mt -58.32 -27.25 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -57.36 -30.27 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.07 -39.31 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.46 -31.64 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.99 -27.73 62.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -62.1 -52.83 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ptm -54.5 -43.04 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.08 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.35 -38.61 80.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.72 154.95 36.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -54.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.54 4.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.491 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 62.75 2.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -97.93 -24.1 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.15 -22.47 6.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.84 149.41 51.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 28.3 mt -129.54 145.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -133.01 -179.7 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.46 -31.78 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.32 -58.99 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -32.46 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.19 -37.08 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.13 -28.38 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.0 mt -71.32 -55.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.1 ptm -59.48 -31.63 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.427 HD13 HG12 ' A' ' 133' ' ' ILE . 66.4 mt -73.05 -28.57 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.72 -30.48 70.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.61 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.8 p -59.06 149.52 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.32 30.49 8.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.644 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.27 -178.48 4.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.5 p -108.55 95.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -111.98 149.96 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.3 p -128.53 166.08 19.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 mt-10 -58.79 -31.06 68.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -31.65 57.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 130' ' ' GLU . 8.0 mt -65.25 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.09 -31.42 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.08 -41.0 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.03 -40.24 88.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -27.52 57.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -56.73 -61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.062 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -76.27 -18.86 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.07 -29.32 60.79 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -80.11 143.57 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.297 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -115.04 -34.41 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.56 25.06 10.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.218 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 43.0 54.46 4.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.581 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -90.33 -29.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.26 11.53 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.538 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -128.2 174.46 9.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 31.2 mt -125.58 138.49 54.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -134.28 -172.39 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 154' ' ' LEU . 38.1 t80 -55.18 -44.79 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.237 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.18 -49.1 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.0 -43.85 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.27 -31.08 69.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 150' ' ' TYR . 3.3 mp -71.6 -43.53 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.76 -39.92 61.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.02 -47.74 81.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.6 mmt -65.29 -43.85 89.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.706 0.289 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.1 m -90.96 135.81 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -97.72 173.21 7.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.04 -68.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -67.57 -39.5 84.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.6 mttt 60.43 79.21 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -106.46 31.18 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -101.16 -32.12 10.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.7 m -69.08 71.0 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.89 55.67 0.64 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.07 123.59 7.95 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -73.93 80.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.2 p -94.19 -176.92 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.39 -24.34 19.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.205 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -56.8 -34.59 67.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.97 -27.99 32.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.976 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 154' ' ' LEU . 4.3 mt -71.45 -28.36 63.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.8 p -57.19 -29.99 64.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -73.62 -37.1 65.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.99 -32.1 71.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 75.7 t80 -66.95 -45.74 76.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.0 mtt180 -59.47 -31.01 68.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -45.5 92.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.595 ' CD2' HD11 ' A' ' 117' ' ' LEU . 0.8 OUTLIER -69.01 -40.73 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.15 155.74 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -56.18 2.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -95.66 -7.54 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.365 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.78 64.02 0.8 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -103.41 -27.12 12.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.063 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.11 -14.34 7.44 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.774 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.9 158.87 38.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.69 HG21 HD13 ' A' ' 117' ' ' LEU . 20.7 mt -129.69 143.39 41.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.99 172.66 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.8 mt -60.18 -38.04 82.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -48.45 70.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.4 mt-10 -66.28 -45.49 80.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.69 HD13 HG21 ' A' ' 112' ' ' ILE . 7.9 tp -63.89 -30.45 71.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -64.71 -28.46 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 116' ' ' GLU . 18.7 mt -70.79 -56.98 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.106 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -60.02 -28.91 68.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.21 -31.12 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -59.31 -31.02 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.35 -31.37 70.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.065 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 27.6 p -60.37 159.27 10.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -71.99 -49.94 20.22 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -59.94 152.51 23.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.338 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.5 p -96.28 94.55 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.48 HD12 ' H ' ' A' ' 128' ' ' ILE . 3.6 mp -80.6 148.78 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 p -104.24 163.48 12.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.615 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.17 -30.97 68.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.75 -36.23 65.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -30.51 71.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.1 mt -72.56 -30.64 34.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -58.03 -31.24 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -71.23 -34.16 70.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.21 -37.41 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.436 ' HE1' ' O ' ' A' ' 112' ' ' ILE . 1.3 mmt -80.29 -30.59 38.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.48 -50.95 71.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -84.77 -19.87 31.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.287 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.64 -28.29 51.91 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.43 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -89.18 125.6 35.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.19 -23.36 10.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -91.7 8.79 35.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.454 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 42.97 37.71 1.2 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.9 0.381 . . . . 0.0 111.559 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -94.63 -27.55 15.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.03 -20.87 9.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.568 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 20.9 mtt180 -128.06 169.49 13.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.808 0.337 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.535 HG23 ' HB2' ' A' ' 152' ' ' GLU . 34.4 mt -117.91 141.36 37.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 101' ' ' PHE . 3.1 p30 -134.38 -171.08 2.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.807 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -55.02 -49.44 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.184 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.91 -45.09 87.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.081 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.535 ' HB2' HG23 ' A' ' 148' ' ' ILE . 15.6 mt-10 -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -47.12 87.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.915 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.681 HD13 HD13 ' A' ' 97' ' ' LEU . 1.2 mm? -59.6 -31.2 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -83.74 -35.47 24.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.601 ' O ' HG22 ' A' ' 160' ' ' VAL . 29.3 t80 -73.39 -42.48 62.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.98 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -32.21 65.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -77.78 62.65 2.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.6 75.45 1.06 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.443 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 156' ' ' PHE . 23.4 t -75.21 -49.86 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.808 0.337 . . . . 0.0 111.1 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.813 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.735 0.302 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.511 HG22 ' HG3' ' A' ' 83' ' ' ARG . 12.1 p -178.07 135.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.103 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.511 ' HG3' HG22 ' A' ' 82' ' ' VAL . 26.1 mtp180 60.51 97.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.0 t -118.66 107.9 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.2 ttm -112.18 -35.3 5.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -69.52 108.99 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.16 171.71 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.93 -34.91 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.2 102.94 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.6 mttt -89.31 -177.84 5.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -107.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -71.13 78.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 p -100.25 -178.61 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.997 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.74 -31.34 70.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -24.07 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -54.46 -31.74 56.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.96 -30.07 68.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.7 p -59.67 -35.23 74.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.86 -34.93 75.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -79.92 -31.05 40.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -64.1 -39.5 94.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -60.32 -31.68 70.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mmm -60.39 -36.86 79.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.609 ' CE2' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -74.71 -45.3 45.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.831 179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.29 141.89 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.695 ' HD3' HG21 ' A' ' 119' ' ' ILE . 3.6 tptt -78.87 -60.86 2.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.981 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -108.25 18.38 21.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.285 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 51.29 63.51 2.21 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.913 0.387 . . . . 0.0 111.264 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -95.07 -27.5 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.54 -16.4 8.48 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.647 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 149' ' ' ASP . 89.2 m-85 -131.72 162.9 29.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.661 HG21 HD13 ' A' ' 117' ' ' LEU . 8.5 mt -129.71 135.77 60.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.959 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -132.97 178.59 6.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.13 -33.25 70.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.01 -47.34 52.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.997 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.502 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -69.73 -32.86 71.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.937 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.661 HD13 HG21 ' A' ' 112' ' ' ILE . 6.4 tp -78.11 -30.73 49.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.942 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.71 ' HG3' HD13 ' A' ' 133' ' ' ILE . 1.5 mtpm? -62.73 -28.86 70.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.695 HG21 ' HD3' ' A' ' 106' ' ' LYS . 12.0 mt -70.59 -54.0 20.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.2 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.5 ptm -59.0 -29.14 67.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 56.2 mt -72.46 -28.63 63.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.6 -30.1 66.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.06 -47.84 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 25.7 p -59.89 158.62 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.44 29.13 12.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.65 ' HB2' HD11 ' A' ' 128' ' ' ILE . 14.6 mt-10 -99.7 151.25 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 28.9 p -93.23 85.36 5.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.65 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.0 mp -104.81 130.9 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -86.42 161.33 18.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.75 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.9 OUTLIER -58.43 -29.49 66.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.069 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.82 -37.72 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.87 -29.68 70.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 130' ' ' GLU . 15.9 mt -68.9 -30.84 48.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.1 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -82.38 -32.04 29.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -59.47 -27.43 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.037 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 13.5 mtp -88.29 -24.26 23.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -55.58 -43.2 75.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.408 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 26.4 p-10 -70.31 -19.6 63.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.284 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.433 ' HA2' ' CD2' ' A' ' 156' ' ' PHE . . . -97.96 -25.54 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.557 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -88.21 122.65 32.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.964 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -113.77 -22.42 10.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.181 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -85.83 -11.88 52.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.179 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 63.64 31.44 14.52 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.894 0.378 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -84.86 -28.2 26.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.989 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.6 -22.24 8.3 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.57 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.31 175.61 8.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.776 0.322 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 29.5 mt -118.25 142.12 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 35.5 p30 -134.44 169.07 17.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.885 ' O ' HD13 ' A' ' 154' ' ' LEU . 88.5 t80 -58.0 -25.2 60.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.3 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.68 -58.69 4.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.99 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -75.9 -33.21 59.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.049 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -59.58 -28.29 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.2 mp -66.53 -43.44 85.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -72.65 -36.71 68.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.75 ' CE1' HG13 ' A' ' 160' ' ' VAL . 15.5 t80 -67.17 -33.9 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.6 mmt -74.32 -35.15 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.3 tppt? -84.93 72.09 10.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.42 71.53 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.75 HG13 ' CE1' ' A' ' 156' ' ' PHE . 6.0 t -67.15 -38.37 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 111.056 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.876 0.37 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 82' ' ' VAL . 11.0 p -163.37 123.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -121.38 114.76 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.8 m -65.46 116.92 7.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.83 130.48 14.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt 63.79 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.88 108.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.2 -175.83 5.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.765 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -59.98 149.75 31.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -97.25 39.75 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.018 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.84 -148.42 6.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -100.16 80.94 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.322 . . . . 0.0 110.963 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -176.24 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.09 -30.19 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -58.44 -26.4 63.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.43 -42.74 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.426 HD13 ' CD1' ' A' ' 154' ' ' LEU . 4.1 mt -58.05 -30.27 66.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 14.8 p -70.72 -32.14 69.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.59 -46.42 85.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.01 -29.67 70.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -58.26 -36.68 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.959 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -62.1 -38.55 89.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.5 mtp -63.04 -37.68 88.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.415 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -68.96 -38.57 79.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -78.82 146.27 33.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.587 ' HE2' HG22 ' A' ' 119' ' ' ILE . 2.2 tptt -111.12 -35.38 5.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.85 -23.76 33.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.91 39.81 4.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 111.05 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -100.35 -23.97 14.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 119.02 24.47 3.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.695 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.409 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 97.0 m-85 -157.58 155.86 30.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.835 0.35 . . . . 0.0 110.814 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.415 HD13 ' HB3' ' A' ' 104' ' ' PHE . 6.9 mt -129.55 135.15 62.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -132.96 -176.95 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -47.35 86.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.347 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.34 -46.77 82.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.122 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.34 -44.89 70.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.589 HD23 ' CG2' ' A' ' 133' ' ' ILE . 32.2 tp -61.52 -33.13 73.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.754 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.11 -36.21 81.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.587 HG22 ' HE2' ' A' ' 106' ' ' LYS . 17.9 mt -74.68 -31.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.073 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.0 ttp -68.8 -44.41 73.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 14.0 mt -75.69 -29.39 58.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.65 -27.91 68.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.13 90.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 62.1 p -58.93 174.29 0.37 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.36 34.78 5.52 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.566 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' ' 128' ' ' ILE . 49.8 mt-10 -106.61 171.11 7.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.752 0.311 . . . . 0.0 110.833 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.3 p -106.07 48.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' ' 126' ' ' GLU . 1.9 mp -67.69 150.04 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.6 p -111.86 169.63 8.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.875 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -60.86 -31.1 70.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.975 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -65.66 -37.05 85.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.07 -42.58 80.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 130' ' ' GLU . 5.1 mt -62.49 -30.34 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -67.58 -35.18 78.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -66.0 -33.88 76.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.15 -35.57 77.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.809 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -33.57 59.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -60.5 -52.82 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -83.09 -24.84 32.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.02 -29.51 53.9 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.444 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -89.25 114.16 25.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -106.39 2.05 26.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.436 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.34 -19.29 13.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.51 35.63 4.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -96.4 -24.43 16.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.1 -23.77 7.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.619 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 62.2 mtt180 -128.33 177.98 6.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.06 140.42 44.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.963 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -134.35 161.5 34.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 67.0 t80 -52.57 -27.38 16.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.536 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.14 -56.51 14.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 0.0 111.033 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.98 -24.49 40.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -56.65 -43.93 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -59.8 -29.48 68.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -80.94 -27.58 36.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.022 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -74.49 -24.28 58.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.09 18.12 19.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.224 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 26.86 2.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.689 0.28 . . . . 0.0 111.278 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.78 55.44 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.363 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.9 m -84.93 -30.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.292 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.5 mmt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.771 0.319 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.06 -35.58 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -131.42 116.1 17.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 t -158.13 158.44 34.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 mtt 63.04 144.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.21 121.76 26.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -82.59 152.34 25.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -106.85 102.02 11.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.92 30.29 3.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -118.43 149.58 41.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.19 -89.34 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.81 117.67 34.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.8 t -88.51 -177.32 5.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' HG3' HD11 ' A' ' 154' ' ' LEU . 48.1 tt0 -65.31 -34.56 78.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -59.97 -30.87 69.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.839 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -59.23 -34.66 72.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 154' ' ' LEU . 18.8 mt -68.76 -31.21 70.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.048 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.1 t -68.23 -39.6 82.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -60.32 -36.68 78.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.54 -31.08 68.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -69.4 -32.9 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -70.15 -32.37 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -74.19 -31.02 62.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.36 -41.79 27.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.54 123.55 19.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.99 -53.3 7.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -76.12 -25.87 55.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.01 39.99 5.39 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.892 0.377 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p30 -93.39 -21.26 19.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 0.45 8.16 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.78 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -144.67 158.05 43.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.1 mt -129.79 146.75 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -133.09 177.32 7.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 134' ' ' GLU . 5.8 mt -58.64 -29.89 66.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.99 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.06 -51.61 17.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.736 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.7 OUTLIER -71.59 -24.26 61.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.169 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.443 HD21 ' HB3' ' A' ' 136' ' ' LEU . 13.4 tp -79.3 -32.89 43.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.246 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.59 ' HB3' HD13 ' A' ' 133' ' ' ILE . 1.2 ptmt -72.32 -29.1 63.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.132 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 116' ' ' GLU . 12.2 mt -71.96 -48.37 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.8 ptm -62.72 -29.42 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.552 ' CD2' HG21 ' A' ' 128' ' ' ILE . 6.0 tp -71.91 -27.28 62.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -56.0 -28.57 57.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.086 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.08 -28.8 64.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.488 HG23 ' O ' ' A' ' 121' ' ' LEU . 32.9 p -58.64 166.78 1.7 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.988 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.02 -28.24 29.03 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.414 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 128' ' ' ILE . 7.5 pt-20 -87.55 156.09 19.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.729 0.3 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.1 p -87.47 124.63 33.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.576 HD11 ' OE2' ' A' ' 126' ' ' GLU . 27.2 mm -112.31 138.34 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 75.9 p -95.72 159.27 15.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 15.5 mt-10 -59.17 -30.76 68.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.972 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.25 -32.52 66.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.56 -30.3 64.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.59 HD13 ' HB3' ' A' ' 118' ' ' LYS . 18.6 mt -74.69 -23.05 17.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.335 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.579 ' HA ' HD21 ' A' ' 114' ' ' LEU . 3.3 mm-40 -54.32 -41.96 69.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.001 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -69.51 -28.94 66.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.443 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -59.05 -40.38 84.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.657 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -83.02 -29.6 28.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -58.88 -53.46 58.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -75.5 -24.05 56.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -79.98 -27.68 52.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.04 116.18 28.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -109.26 -24.77 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.49 -21.13 32.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 67.31 52.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -107.99 -23.64 11.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -26.63 6.71 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.536 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.6 mtt85 -132.5 175.38 9.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.85 0.357 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.657 HD12 ' HE2' ' A' ' 137' ' ' MET . 13.5 mt -118.06 141.56 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -134.31 -178.47 5.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -56.85 -42.11 79.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.38 -43.05 98.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.17 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -59.62 -34.81 73.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -63.89 -36.17 83.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.834 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -73.49 -48.58 32.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.689 ' O ' HG22 ' A' ' 160' ' ' VAL . 24.8 t80 -59.24 -35.97 74.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -84.17 -12.55 54.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 11.2 ttpt -85.68 54.66 3.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.899 0.381 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.39 93.15 2.28 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.9 t -100.56 29.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.107 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.9 ttm . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.858 0.361 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 83' ' ' ARG . 11.2 p -161.73 -44.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.485 ' N ' HG13 ' A' ' 82' ' ' VAL . 0.3 OUTLIER -69.08 -173.84 0.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.16 -171.37 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 mmm 64.6 -78.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -66.31 109.59 2.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -89.04 -64.59 1.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.2 105.29 10.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 t -64.78 150.49 47.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.3 tttt -83.77 86.09 7.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.07 -110.02 0.41 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -110.07 101.69 10.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.473 HG22 ' H ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -97.06 -174.71 3.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.473 ' H ' HG22 ' A' ' 93' ' ' THR . 0.0 OUTLIER -57.39 -22.46 43.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.056 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.79 -25.71 68.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.176 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -30.0 70.58 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.84 0.352 . . . . 0.0 111.196 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 100' ' ' LEU . 1.3 mt -56.53 -30.84 63.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.9 p -60.96 -39.67 90.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -60.26 -38.72 84.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 97' ' ' LEU . 4.6 mt -63.58 -36.87 85.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -71.92 -32.43 67.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 108' ' ' ALA . 22.2 mmm180 -61.41 -52.62 63.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.022 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.8 ptp -55.86 -44.32 77.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.424 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.2 m-85 -57.91 -37.8 74.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -71.01 156.15 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.89 -56.12 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -97.49 -6.36 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.422 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 102' ' ' ARG . . . 63.18 59.71 1.26 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -97.6 -24.16 15.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.1 -19.75 6.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.669 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -129.84 155.65 45.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.1 mt -129.76 141.15 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -132.96 -177.72 4.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 134' ' ' GLU . 7.5 mt -58.09 -43.2 86.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.94 -54.17 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.1 OUTLIER -60.52 -33.52 72.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.986 -179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.602 HD23 ' CG2' ' A' ' 133' ' ' ILE . 9.1 tp -79.57 -29.28 41.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.067 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 133' ' ' ILE . 2.9 ttpt -67.01 -28.7 68.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.5 mt -72.29 -53.26 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.239 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ptm -58.72 -30.02 67.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.005 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.78 HD22 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -75.82 -32.64 59.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -63.0 -30.36 71.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.24 -32.3 69.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.7 p -60.35 178.33 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.66 -31.2 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.47 131.31 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 81.5 p -79.15 91.43 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 121' ' ' LEU . 29.4 mm -81.76 155.72 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.428 ' N ' HG22 ' A' ' 128' ' ' ILE . 29.2 p -104.91 173.07 6.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.487 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.1 tt0 -64.93 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -47.52 74.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.81 -35.98 79.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.78 HG12 HD22 ' A' ' 121' ' ' LEU . 13.7 mt -73.8 -29.82 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.518 ' CG ' HD21 ' A' ' 114' ' ' LEU . 18.7 mt-10 -58.88 -25.9 63.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -57.31 -47.46 81.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -31.35 72.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.4 mmt -80.04 -31.02 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.968 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.69 -58.06 8.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -80.15 -18.1 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.09 -27.18 62.66 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.531 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -96.66 131.68 43.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -113.42 -28.96 7.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -90.62 -2.91 57.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.377 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 60.58 31.35 20.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -77.59 -29.13 51.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.89 -26.42 7.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.457 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -128.24 178.64 6.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.339 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.6 mt -121.08 149.41 24.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.078 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -134.48 -172.78 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -64.18 -46.5 83.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.125 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.7 -47.66 83.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.055 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.91 -45.53 74.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.97 -34.8 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.98 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.441 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -65.49 -31.71 72.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.58 -36.34 17.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.785 ' O ' HG22 ' A' ' 160' ' ' VAL . 41.9 t80 -63.97 -30.08 71.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.68 -46.95 9.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.794 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -84.32 73.85 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.769 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.77 80.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.39 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 156' ' ' PHE . 2.8 t -83.51 58.78 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 111.073 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.765 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.932 0.396 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.426 HG22 ' H ' ' A' ' 84' ' ' CYS . 13.2 p -101.19 129.92 51.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.94 41.15 2.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.426 ' H ' HG22 ' A' ' 82' ' ' VAL . 98.5 m -112.97 103.11 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.1 tpp -124.39 161.29 26.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -149.84 143.38 25.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.91 128.53 36.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.83 -167.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.48 50.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -105.76 179.41 4.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.48 118.48 5.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -102.02 -176.38 3.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.81 0.338 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -99.95 -85.06 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.085 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.413 ' H ' HG23 ' A' ' 93' ' ' THR . 0.6 OUTLIER -82.28 -31.75 29.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.825 0.345 . . . . 0.0 111.166 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.27 -28.48 62.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.18 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.707 ' OE1' HD12 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -57.5 -30.42 65.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.072 -179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 ' HG2' ' A' ' 157' ' ' MET . 28.5 mt -72.99 -30.61 63.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t -59.69 -39.38 84.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -82.06 -32.82 30.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.707 HD12 ' OE1' ' A' ' 96' ' ' GLU . 8.4 mt -72.95 -30.68 64.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.06 -32.48 73.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -33.53 75.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 8.9 mtt -59.99 -41.08 91.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.537 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -64.13 -39.33 93.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.43 134.82 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE2' HG22 ' A' ' 119' ' ' ILE . 7.4 mmmt -88.94 -58.55 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 38.0 p30 -85.44 -15.02 44.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.267 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.73 75.33 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.882 0.372 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -106.78 -21.62 12.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -25.69 5.72 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -129.82 168.07 17.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.57 HG21 HD13 ' A' ' 117' ' ' LEU . 8.9 mt -129.7 143.75 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -133.02 175.83 9.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 133' ' ' ILE . 12.7 tp -60.67 -37.83 82.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.057 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.14 -55.3 22.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -61.8 -42.52 99.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.971 179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.724 ' O ' HD12 ' A' ' 121' ' ' LEU . 9.2 tp -67.03 -31.34 71.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.65 ' HG2' HD13 ' A' ' 133' ' ' ILE . 3.8 mtpm? -64.49 -27.72 69.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.529 HG22 ' HE2' ' A' ' 106' ' ' LYS . 21.1 mt -71.71 -51.69 30.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.6 ptm -62.73 -29.2 70.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 117' ' ' LEU . 0.2 OUTLIER -66.23 -32.46 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.844 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -60.0 -31.4 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.34 -36.3 81.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -60.98 143.11 55.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -69.47 -34.19 73.52 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -68.28 143.13 55.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 p -85.4 111.66 20.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mm -110.81 138.65 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.048 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -91.25 173.61 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.815 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.777 ' HA ' HD12 ' A' ' 133' ' ' ILE . 16.0 mt-10 -67.7 -31.46 71.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.981 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.9 -37.36 72.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -35.11 79.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 130' ' ' GLU . 10.9 mt -69.41 -32.39 53.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.73 -31.49 71.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.35 -31.87 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -34.34 77.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.409 ' HE3' HD12 ' A' ' 148' ' ' ILE . 1.4 ttm -87.71 -32.55 19.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -60.37 -43.89 96.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -84.92 -18.66 33.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.387 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.78 -27.58 50.03 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.497 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -89.31 138.87 31.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -110.44 -41.61 4.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -88.28 -14.55 38.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.291 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 66.81 71.87 0.37 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.07 -23.54 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.99 -26.91 6.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.552 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -131.24 174.36 10.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.409 HD12 ' HE3' ' A' ' 137' ' ' MET . 14.2 mt -118.52 148.13 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.019 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -134.38 -178.07 4.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -58.94 -45.57 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.73 -47.54 85.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.954 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -68.09 -45.6 73.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.4 -33.25 73.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.853 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.16 -47.53 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.821 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -68.9 -37.31 78.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.415 ' CE1' HG13 ' A' ' 160' ' ' VAL . 21.8 t80 -64.26 -45.41 88.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.422 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -74.27 -31.47 62.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -78.65 61.78 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.76 73.12 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.415 HG13 ' CE1' ' A' ' 156' ' ' PHE . 17.3 t -61.52 -34.46 61.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.0 111.155 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.873 -179.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.6 mtp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m 42.75 35.43 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.688 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -158.22 115.25 2.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.7 -48.98 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.774 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -62.68 -56.51 17.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.5 ttmt -105.07 78.5 1.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.8 -65.65 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 31.54 5.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.68 115.08 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -101.45 178.9 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.88 -112.52 0.49 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.435 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -108.54 120.92 43.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.691 HG23 ' HB2' ' A' ' 95' ' ' GLU . 5.2 t -100.38 177.72 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -59.29 -22.02 60.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.691 ' HB2' HG23 ' A' ' 93' ' ' THR . 4.9 mt-10 -58.49 -34.86 71.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.047 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.36 -30.9 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.0 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 157' ' ' MET . 4.3 mt -64.23 -27.78 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.54 -30.81 65.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.95 -38.34 66.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.8 mm? -58.88 -37.43 76.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' CE1' HD11 ' A' ' 112' ' ' ILE . 84.2 t80 -68.85 -42.31 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -59.29 -30.23 68.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.999 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.46 -39.32 93.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -76.82 -43.38 36.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.64 115.19 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -67.69 0.69 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.7 OUTLIER -76.31 -20.81 56.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.073 179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.82 72.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.896 0.379 . . . . 0.0 111.224 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -111.4 -16.76 13.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.04 -24.27 6.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -129.87 171.79 12.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.81 0.338 . . . . 0.0 110.851 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.411 HD11 ' CE1' ' A' ' 101' ' ' PHE . 35.2 mt -129.77 138.74 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -133.04 171.71 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -44.28 92.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -59.73 -46.86 87.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -71.55 -36.51 70.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.437 HD23 HG22 ' A' ' 133' ' ' ILE . 12.8 tp -68.56 -30.72 69.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -67.18 -26.95 66.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.2 mt -70.19 -46.13 73.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.168 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -64.86 -27.82 69.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.997 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.717 HD21 ' HB ' ' A' ' 128' ' ' ILE . 4.6 tt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -59.75 -31.34 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.38 -48.04 83.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.9 p -60.32 147.5 40.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.58 28.5 13.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.507 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -96.76 173.7 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.905 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 25.3 p -102.81 77.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.717 ' HB ' HD21 ' A' ' 121' ' ' LEU . 24.2 mt -110.33 149.34 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 52.0 p -109.03 -174.04 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.868 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -75.9 -31.47 59.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.61 -31.19 64.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.18 -36.43 79.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.9 mt -63.6 -30.35 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.95 -30.52 69.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -64.49 -33.24 75.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -32.57 72.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.19 -31.08 55.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -50.62 72.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -84.74 -22.38 29.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.83 -27.34 58.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.561 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -93.58 126.67 38.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.979 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -109.99 -29.73 8.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.988 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.58 -20.46 31.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.164 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 67.58 36.77 3.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -89.31 -20.78 23.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -26.29 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -130.76 171.04 13.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.344 . . . . 0.0 110.85 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -118.09 140.37 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -134.26 -172.27 2.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.69 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.691 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 13.6 t80 -57.09 -50.94 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.161 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.543 ' HA ' HD12 ' A' ' 154' ' ' LEU . 12.3 m-20 -56.22 -38.76 71.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.239 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -80.06 -36.14 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.069 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -69.42 -36.71 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.691 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -58.51 -35.29 72.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.002 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.78 -36.11 23.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -59.26 -30.0 67.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -102.16 24.15 10.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.0 179.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -91.31 23.73 3.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.393 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.8 63.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.9 m -102.11 74.34 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.776 0.322 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.9 p -109.62 -31.05 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -96.04 101.98 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 12.4 t -156.06 -62.96 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmt -129.0 113.84 15.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -97.09 -41.99 8.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -96.4 42.08 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.07 -63.86 1.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -90.34 104.16 16.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.04 120.49 41.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.29 -136.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -98.65 75.76 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.822 0.344 . . . . 0.0 110.802 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.607 HG23 ' HB2' ' A' ' 95' ' ' GLU . 3.0 t -89.29 174.53 7.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.736 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.47 -27.51 4.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.607 ' HB2' HG23 ' A' ' 93' ' ' THR . 8.9 mt-10 -60.33 -28.33 68.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.054 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -57.48 -28.63 63.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.172 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.45 -28.96 63.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.9 t -58.06 -30.3 66.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -41.76 87.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mp -71.51 -45.13 63.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -59.98 -42.95 95.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.98 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.18 -32.56 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.8 mmt -67.65 -42.6 81.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -63.12 -34.59 77.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 149.25 48.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.774 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.402 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.5 OUTLIER -91.62 -57.69 2.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -103.1 8.73 38.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 54.8 65.33 1.53 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.29 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.608 ' OD1' 'CA ' ' A' ' 162' ' ' ' CA' . 12.8 p-10 -103.87 -25.71 12.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.33 6.39 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.624 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 25.7 m-85 -129.7 153.25 48.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.311 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.597 HG21 HD13 ' A' ' 117' ' ' LEU . 1.9 mp -129.72 148.16 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -132.98 178.32 6.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.504 HD12 ' SD ' ' A' ' 137' ' ' MET . 3.9 mp -59.04 -44.72 91.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.2 -52.74 63.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.02 -45.79 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 112' ' ' ILE . 8.4 tp -63.34 -33.13 74.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -62.83 -28.23 69.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.402 HG21 ' HD3' ' A' ' 106' ' ' LYS . 30.6 mt -69.67 -54.83 17.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -57.03 -27.3 61.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.176 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 118' ' ' LYS . 12.1 mt -72.29 -30.72 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -62.9 -30.91 71.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.43 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.5 p -63.33 163.78 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.54 -36.32 8.07 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -78.52 153.52 31.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 63.6 p -89.78 110.82 21.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.477 HG13 HD22 ' A' ' 121' ' ' LEU . 21.6 mm -85.44 140.83 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 43.7 p -78.69 153.19 31.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -69.61 -31.13 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.18 -35.13 80.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.46 -33.3 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 121' ' ' LEU . 22.3 mt -76.28 -30.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.063 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.421 ' HG2' HD21 ' A' ' 114' ' ' LEU . 11.5 mt-10 -74.4 -32.92 62.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -43.42 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.1 mt -59.71 -30.67 68.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.504 ' SD ' HD12 ' A' ' 114' ' ' LEU . 0.4 OUTLIER -79.48 -31.66 42.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.032 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -67.23 -60.61 2.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -68.72 -18.38 64.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.315 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -85.74 -26.95 33.45 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.577 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -92.92 112.58 24.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 110.969 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -113.31 -17.56 12.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.303 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -85.79 -13.21 48.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 64.54 31.16 12.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.955 0.407 . . . . 0.0 110.964 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -90.61 -27.37 19.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.69 -23.95 8.18 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.551 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 41.9 mtt85 -128.33 -178.24 4.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.424 HD12 ' HE2' ' A' ' 137' ' ' MET . 15.4 mt -117.91 143.74 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.403 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 20.5 p30 -134.53 173.52 11.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.847 ' O ' HD13 ' A' ' 154' ' ' LEU . 12.2 t80 -61.37 -25.69 67.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.174 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.26 -57.7 7.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 111.057 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -77.24 -35.35 55.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -58.61 -29.32 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.811 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 150' ' ' TYR . 3.1 mp -66.45 -33.54 75.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -85.18 -39.84 17.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.644 ' O ' HG22 ' A' ' 160' ' ' VAL . 38.5 t80 -60.09 -44.91 94.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.769 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -30.89 62.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -78.96 61.94 3.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.84 68.2 0.76 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 156' ' ' PHE . 26.2 t -65.86 -38.58 82.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.052 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . 0.608 'CA ' ' OD1' ' A' ' 109' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 82' ' ' VAL . 9.9 p -171.09 59.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.023 0.439 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -139.62 154.85 47.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.2 p -106.26 35.12 3.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.5 103.91 3.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.22 -29.47 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -58.91 -179.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.88 174.28 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.7 t -76.16 -47.48 24.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 93.87 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.953 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.52 29.68 11.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -92.95 89.98 6.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.725 HG23 ' H ' ' A' ' 95' ' ' GLU . 10.7 t -90.75 -170.24 2.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -26.23 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.725 ' H ' HG23 ' A' ' 93' ' ' THR . 5.3 tt0 -59.5 -28.31 66.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.139 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -26.47 49.11 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.126 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 154' ' ' LEU . 7.4 mt -55.73 -29.11 58.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.6 p -58.71 -30.48 67.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -61.9 -30.09 70.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.69 -31.38 28.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.972 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -68.08 -46.86 69.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -30.63 68.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.8 mtt -66.45 -44.21 83.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -60.36 -45.33 93.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.75 131.81 50.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.622 ' HG3' HD13 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -75.04 -65.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -86.6 -10.55 53.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.391 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.27 74.9 0.39 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.987 0.422 . . . . 0.0 111.035 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -106.94 -21.86 12.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.24 -23.31 6.13 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 91.9 m-85 -129.88 162.97 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.842 0.354 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.3 mt -129.65 145.16 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -137.43 -175.5 4.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 134' ' ' GLU . 3.9 mm? -59.55 -38.39 80.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -67.2 -50.68 60.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.69 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.3 tp10 -63.91 -34.49 78.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.563 HD21 HD22 ' A' ' 136' ' ' LEU . 8.1 tp -78.87 -29.9 44.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -63.29 -29.82 71.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.7 mt -70.23 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 121' ' ' LEU . 3.5 ppp? -55.02 -31.63 61.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.787 HD22 HG12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -76.21 -30.18 57.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.001 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -67.36 -30.85 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.35 -37.86 84.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.177 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.2 p -59.84 179.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.62 -25.17 6.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.548 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -58.22 142.04 48.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.959 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.9 p -82.6 86.78 6.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.591 HG21 HD21 ' A' ' 121' ' ' LEU . 4.3 mt -98.79 133.94 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -87.63 178.88 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.948 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 133' ' ' ILE . 19.7 tt0 -72.04 -31.58 66.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.78 -36.31 70.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.826 HD12 ' HA ' ' A' ' 130' ' ' GLU . 7.4 mt -75.71 -28.95 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.585 ' HA ' HD11 ' A' ' 114' ' ' LEU . 1.7 mt-10 -65.18 -51.63 59.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.042 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -29.3 65.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.061 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.563 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -60.19 -34.66 73.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.0 ttm -85.0 -17.94 36.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.234 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.73 -62.61 1.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.856 0.36 . . . . 0.0 111.108 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.23 -21.25 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.364 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.93 -27.03 42.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.58 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -96.5 133.88 40.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.706 0.289 . . . . 0.0 111.019 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -134.38 25.21 3.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -121.64 -5.45 9.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.419 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.83 29.58 19.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.851 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -105.43 -18.15 14.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 92.25 26.64 17.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -156.51 166.65 32.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.838 0.351 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 35.1 mt -120.13 143.98 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.8 p30 -134.45 -175.88 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD21 ' A' ' 154' ' ' LEU . 8.9 t80 -59.25 -43.41 92.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.22 -42.81 99.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -75.59 -36.38 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.53 -43.32 99.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.62 HD13 HD13 ' A' ' 97' ' ' LEU . 3.5 mm? -62.2 -53.94 48.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -60.15 -42.33 94.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.642 ' O ' HG22 ' A' ' 160' ' ' VAL . 31.4 t80 -60.31 -44.03 95.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.441 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -70.44 -30.76 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.807 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -78.03 62.46 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.45 71.75 0.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.545 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 156' ' ' PHE . 24.5 t -73.44 -56.84 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.422 ' HG3' HG22 ' A' ' 82' ' ' VAL . 2.7 ptt? . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.865 0.364 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.422 HG22 ' HG3' ' A' ' 81' ' ' MET . 15.7 m -133.67 124.05 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.084 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.1 88.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.1 t -115.82 -49.63 2.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.15 41.11 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -98.23 30.28 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.068 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -110.49 31.44 5.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -101.42 77.39 1.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.813 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.8 m -84.27 174.57 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -97.11 39.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -106.85 58.42 0.42 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.578 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 50.9 mttt -59.13 148.44 31.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.72 -74.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -82.41 -49.55 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -58.92 -23.34 61.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.204 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' OE2' HD11 ' A' ' 100' ' ' LEU . 1.5 pp20? -60.72 -18.7 56.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.179 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 157' ' ' MET . 12.6 mt -48.98 -28.1 3.65 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.76 0.314 . . . . 0.0 111.313 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.418 ' HB3' ' CE1' ' A' ' 150' ' ' TYR . 0.7 OUTLIER -59.66 -32.23 70.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.63 -33.75 64.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 HD11 ' OE2' ' A' ' 96' ' ' GLU . 5.1 mt -74.27 -29.73 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -68.68 -27.41 65.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -63.05 -54.24 41.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.097 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 12.0 ptm -55.36 -43.02 74.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.14 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.662 ' HB3' HD13 ' A' ' 112' ' ' ILE . 4.9 m-85 -56.74 -30.87 64.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.051 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.41 151.4 30.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.796 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -99.59 -53.89 3.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -95.89 -8.04 35.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.297 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.3 52.04 2.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.872 0.368 . . . . 0.0 110.988 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -91.27 -22.78 20.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.075 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.06 -20.2 6.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.574 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 3.9 m-85 -129.92 163.25 26.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 104' ' ' PHE . 22.5 mt -129.68 145.36 35.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.019 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -133.11 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 tt -58.92 -46.18 88.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -62.88 -53.48 53.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.809 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.8 OUTLIER -62.24 -31.15 71.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 133' ' ' ILE . 18.3 tp -78.9 -30.37 44.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.89 69.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 116' ' ' GLU . 8.7 mt -67.83 -48.4 75.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.7 ptm -59.6 -29.1 67.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.565 HD12 HG13 ' A' ' 128' ' ' ILE . 2.2 mm? -72.32 -29.98 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -57.92 -30.81 66.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.19 69.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.18 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.4 p -65.48 164.87 13.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.27 -44.35 8.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.455 ' OE1' HD11 ' A' ' 128' ' ' ILE . 13.4 pt-20 -70.56 152.63 43.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.731 0.301 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.6 p -97.33 102.87 14.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.565 HG13 HD12 ' A' ' 121' ' ' LEU . 30.6 mm -86.18 147.13 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 23.4 p -93.22 166.49 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.813 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -68.31 -31.34 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -36.56 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -39.58 79.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.538 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.2 mm -73.85 -29.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.96 -31.01 68.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -70.97 -33.09 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.23 -32.47 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.417 ' HE2' HG13 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -88.04 -31.76 19.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -60.6 -48.55 81.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -84.14 -17.4 40.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.365 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.65 -27.02 52.62 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.52 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -89.75 126.58 35.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -112.95 -33.29 6.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -87.75 -11.4 48.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.28 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 66.11 60.22 0.66 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.004 0.43 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -109.8 -28.43 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.33 10.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.562 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -128.23 167.66 16.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.417 HG13 ' HE2' ' A' ' 137' ' ' MET . 37.3 mt -118.28 146.37 22.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.109 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 5.6 p-10 -134.56 -173.77 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 98' ' ' SER . 18.3 t80 -57.87 -43.94 86.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -59.17 -48.55 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.028 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -70.24 -40.16 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.09 -41.16 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.43 -37.51 85.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -78.41 -37.34 44.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.485 ' O ' HG22 ' A' ' 160' ' ' VAL . 49.2 t80 -64.46 -47.88 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.731 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -67.67 -38.82 84.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.747 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -73.99 64.5 1.02 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.7 91.91 2.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.347 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 156' ' ' PHE . 11.4 t -94.93 43.38 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.912 0.387 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 9.3 mtt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.15 -53.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.164 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.6 -169.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.949 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 23.5 t -81.63 123.38 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.1 110.09 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.92 -41.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -97.66 36.61 1.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.23 -43.76 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.96 131.43 43.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.764 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.04 122.0 22.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -89.13 -159.03 34.92 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.484 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -98.04 49.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.6 p -86.83 -177.75 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.13 -22.41 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.288 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.34 -28.91 66.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.171 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.53 -24.9 61.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.337 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.35 -29.7 49.06 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 t -59.87 -30.28 68.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -71.3 -43.42 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.05 -33.94 72.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' ' HA ' ' A' ' 149' ' ' ASP . 46.9 t80 -70.21 -40.68 74.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -58.94 -30.34 67.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 4.4 mtt -73.21 -31.52 64.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -72.03 -33.0 67.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.28 154.14 42.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HD3' HG21 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -97.5 -47.5 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -105.06 -4.49 21.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.404 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.86 68.29 0.65 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.813 0.34 . . . . 0.0 111.002 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -109.87 -26.75 9.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.08 -20.84 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.67 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 11.4 m-85 -129.73 151.92 49.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.811 0.338 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.9 mt -129.86 149.51 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -134.04 -179.14 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.84 -31.19 69.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -68.64 -56.6 7.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.057 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.22 -32.96 74.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.29 -28.7 63.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.55 ' HA ' HD12 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -66.12 -27.02 67.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.053 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.46 HG21 ' HD3' ' A' ' 106' ' ' LYS . 42.4 mt -71.81 -33.75 49.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.217 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 6.4 ptm -81.56 -29.41 33.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.991 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -75.81 -40.34 55.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.08 -46.31 89.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.37 -35.66 72.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.2 p -75.82 148.36 38.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.53 32.54 6.41 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.29 172.35 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.5 p -102.99 72.33 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mt -112.23 121.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.43 166.54 21.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -59.17 -39.38 82.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.27 -31.01 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.03 -30.08 71.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.472 ' CD1' HD13 ' A' ' 121' ' ' LEU . 31.6 mt -69.24 -35.56 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -66.68 -35.37 79.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -63.82 -31.77 73.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.7 mp -60.64 -50.01 75.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.8 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -27.14 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -56.68 -63.39 1.22 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -75.39 -19.0 59.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.265 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.86 -27.23 57.0 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.404 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -89.53 152.72 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.952 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -124.43 -41.25 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -91.79 -0.38 57.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.339 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.57 35.93 19.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.837 0.351 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 24.7 p-10 -75.75 -30.34 59.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.53 11.08 20.45 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.678 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 58.5 mtt85 -155.17 176.94 11.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 110.757 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 43.0 mt -127.3 139.61 51.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.042 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.433 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 14.1 p-10 -134.27 -173.57 3.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.744 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.22 -41.26 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.151 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.54 -51.2 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.02 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -68.42 -40.91 81.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CE1' ' HE1' ' A' ' 157' ' ' MET . 21.6 t80 -59.36 -34.75 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 4.4 mp -74.81 -50.76 16.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -62.02 -43.81 98.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.672 ' O ' HG22 ' A' ' 160' ' ' VAL . 20.3 t80 -59.41 -35.3 73.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.909 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.422 ' HE1' ' CE1' ' A' ' 153' ' ' PHE . 3.5 tpp -86.79 -22.91 25.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.36 57.71 3.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.2 79.62 1.34 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.55 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 156' ' ' PHE . 11.7 t -75.79 -32.14 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.832 0.349 . . . . 0.0 111.18 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.2 ttt . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.8 m -72.12 177.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.105 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 80.44 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.5 m -127.06 -178.15 4.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.29 -179.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -113.27 103.17 11.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.971 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -69.0 -45.55 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.27 50.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.1 t -98.43 34.5 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -116.81 78.58 1.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.43 -117.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -104.39 67.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.8 HG23 ' H ' ' A' ' 95' ' ' GLU . 8.9 t -85.66 -169.24 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.509 ' HA ' HD12 ' A' ' 97' ' ' LEU . 29.9 mt-10 -65.53 -16.56 63.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.294 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.8 ' H ' HG23 ' A' ' 93' ' ' THR . 6.4 mt-10 -67.89 -50.68 54.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.326 . . . . 0.0 111.179 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -29.54 64.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.139 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 94' ' ' GLU . 16.1 mt -58.8 -29.85 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.965 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -63.1 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.44 -43.74 89.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -35.72 75.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 35.4 t80 -72.51 -27.39 62.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -51.67 62.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.266 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.6 ptm -53.97 -42.41 68.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.846 0.355 . . . . 0.0 111.107 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.737 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.9 m-85 -59.64 -30.05 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.92 137.93 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -84.19 -52.77 5.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -98.2 -9.9 24.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.14 63.49 0.66 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.821 0.343 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -101.83 -21.75 14.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.16 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.09 -19.43 6.85 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.654 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 54.4 m-85 -129.72 159.03 37.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.828 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.737 HD13 ' HB3' ' A' ' 104' ' ' PHE . 13.9 mt -129.63 142.82 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -137.49 174.01 11.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.649 HD22 ' HG3' ' A' ' 137' ' ' MET . 3.5 mm? -58.87 -31.07 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -68.44 -52.6 30.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.996 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.825 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.2 mt-10 -71.81 -26.99 62.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.631 HD22 ' SD ' ' A' ' 137' ' ' MET . 12.5 tp -77.38 -36.34 53.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.27 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -66.23 -27.77 68.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.14 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.825 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.5 mt -72.52 -47.26 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.166 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.401 ' SD ' HD12 ' A' ' 117' ' ' LEU . 7.4 ptm -68.4 -30.78 69.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.425 HD22 HG12 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -75.83 -30.05 58.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.03 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -59.07 -29.9 67.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.7 p -58.8 179.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -105.23 -30.37 4.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.9 138.6 58.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 53.4 p -78.98 94.39 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.797 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 31.6 mm -106.06 135.13 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.9 m -88.39 163.14 16.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.15 76.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -70.94 -32.69 69.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.99 -29.96 70.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.026 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.566 ' CG2' HD23 ' A' ' 117' ' ' LEU . 29.1 mt -75.86 -29.99 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.595 ' N ' HD11 ' A' ' 114' ' ' LEU . 1.6 mt-10 -62.14 -36.8 82.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -65.41 -35.48 81.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -31.9 71.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.649 ' HG3' HD22 ' A' ' 114' ' ' LEU . 47.0 mmm -88.14 -24.46 23.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -54.71 -49.78 69.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.153 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -84.86 -18.89 33.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.367 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.04 -27.04 46.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -97.47 121.12 39.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -108.79 17.08 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -117.17 -15.26 10.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.292 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.9 m120 65.28 29.75 11.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.853 0.359 . . . . 0.0 110.899 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -96.41 -23.94 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.84 19.64 11.71 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.669 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -156.93 164.8 37.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 32.6 mt -122.42 146.35 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.5 p30 -134.38 -174.92 3.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.992 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -59.9 -46.99 87.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.031 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.99 -48.23 82.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.1 -42.11 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' A' ' 157' ' ' MET . 61.0 t80 -61.96 -35.75 79.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.829 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.476 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -62.35 -41.48 98.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.79 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -72.3 -42.97 64.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.58 ' O ' HG22 ' A' ' 160' ' ' VAL . 27.2 t80 -64.84 -42.95 94.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.442 ' HG3' ' CE2' ' A' ' 153' ' ' PHE . 43.2 mmm -71.87 -39.84 69.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -77.87 67.57 3.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.826 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.7 77.27 1.17 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 156' ' ' PHE . 21.8 t -76.43 -59.63 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.73 0.3 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.5 t -108.19 -25.51 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -95.78 41.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.991 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.5 m -145.44 -49.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -174.89 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -68.53 94.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.59 -34.13 73.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.24 140.53 30.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.42 120.28 21.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -71.08 78.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.787 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.17 172.4 22.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -78.07 94.08 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.319 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.24 -173.91 2.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.769 ' HG3' HD11 ' A' ' 154' ' ' LEU . 0.1 OUTLIER -63.5 -34.6 78.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -24.82 42.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.057 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.14 -57.79 5.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.733 HD21 ' HG2' ' A' ' 157' ' ' MET . 61.9 mt -59.47 -29.78 68.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.7 p -58.55 -30.14 66.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.52 -35.27 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.632 HD12 HD23 ' A' ' 97' ' ' LEU . 51.5 mt -66.03 -32.5 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -72.69 -29.73 63.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.6 ttt85 -63.36 -57.04 11.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -58.88 -44.49 91.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -33.13 70.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.33 118.7 20.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.46 ' NZ ' HG22 ' A' ' 119' ' ' ILE . 3.6 tptt -68.43 -44.59 74.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -91.42 -25.92 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.33 39.8 6.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -91.55 -13.85 31.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.221 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -16.01 7.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.69 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 21.4 m-85 -138.8 152.98 48.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.811 0.339 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 34.6 mt -129.73 145.06 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.7 p-10 -132.93 -176.21 4.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.557 HD23 ' CG2' ' A' ' 133' ' ' ILE . 0.4 OUTLIER -60.37 -28.3 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -73.5 -64.62 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.91 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.4 mt-10 -58.24 -23.96 57.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.277 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.585 HD22 ' SD ' ' A' ' 137' ' ' MET . 24.3 tp -78.94 -46.29 18.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.144 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -61.28 -30.12 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.169 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.91 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -68.54 -32.31 54.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.068 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 30.4 ttp -62.33 -38.0 87.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.14 -29.35 57.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.45 -30.81 65.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.026 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.29 -36.71 69.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.5 p -75.14 170.97 14.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.43 -27.87 41.9 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.52 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.63 141.13 55.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.851 0.358 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.4 p -104.67 98.55 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.1 mm -99.88 129.52 50.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.198 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.2 t -74.2 160.26 31.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.804 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.07 -33.17 74.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.74 -30.79 71.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.963 0.411 . . . . 0.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -75.4 -29.74 59.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.05 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.557 ' CG2' HD23 ' A' ' 114' ' ' LEU . 35.3 mm -64.3 -32.76 58.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.403 ' HG2' HD11 ' A' ' 114' ' ' LEU . 1.3 mt-10 -65.01 -43.61 91.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.14 -31.33 69.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.72 -42.99 90.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.585 ' SD ' HD22 ' A' ' 117' ' ' LEU . 33.5 mmm -87.82 -22.67 24.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -54.78 -51.24 66.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.827 0.346 . . . . 0.0 111.117 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -84.85 -18.58 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.272 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -78.95 -28.35 54.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.479 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -72.87 133.08 44.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.837 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -120.37 -33.85 3.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.334 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -95.82 16.23 18.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.311 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 43.08 31.66 0.37 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.835 0.35 . . . . 0.0 111.518 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.624 ' OD1' 'CA ' ' A' ' 163' ' ' ' CA' . 9.9 p-10 -84.0 -29.57 26.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 117.97 -19.12 11.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -128.05 177.72 6.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.777 0.322 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.497 HG23 ' HB2' ' A' ' 152' ' ' GLU . 29.2 mt -124.03 139.61 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 2.9 p30 -134.32 -169.25 2.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.776 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -55.41 -51.37 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.27 -46.83 82.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.045 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.497 ' HB2' HG23 ' A' ' 148' ' ' ILE . 6.0 mt-10 -67.14 -43.68 81.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -57.69 -30.55 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.769 HD11 ' HG3' ' A' ' 94' ' ' GLU . 2.3 mm? -75.27 -52.46 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.3 -42.66 87.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.754 ' O ' HG22 ' A' ' 160' ' ' VAL . 35.3 t80 -59.2 -37.36 77.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.788 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.733 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -85.16 -24.51 27.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -82.03 58.58 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 104.1 73.72 0.95 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 156' ' ' PHE . 23.2 t -68.84 -31.22 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . 0.624 'CA ' ' OD1' ' A' ' 145' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.829 0.347 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.3 p -154.66 139.0 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -79.06 144.91 34.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.991 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.9 m -140.34 118.47 11.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.5 mmm 62.73 -79.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -110.61 126.07 54.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -108.9 -37.66 5.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 p30 -98.5 -176.5 3.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -172.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -58.3 158.8 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.024 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -66.75 -76.84 0.33 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.424 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -84.29 102.22 12.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.401 ' CG2' ' CG ' ' A' ' 95' ' ' GLU . 11.1 t -100.31 -163.39 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.87 -44.32 55.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.161 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' CG ' ' CG2' ' A' ' 93' ' ' THR . 0.0 OUTLIER -55.11 -24.4 25.68 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.173 -179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -58.64 -22.01 55.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -51.98 -27.01 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.101 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.9 p -58.48 -31.14 67.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.79 -36.65 65.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 mt -69.5 -30.42 68.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -72.11 -22.75 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.78 -52.67 63.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.168 -179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 9.0 ptm -54.03 -42.39 69.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.084 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -57.71 -31.83 66.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.799 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -96.07 127.15 41.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.794 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.58 -67.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -63.16 -23.91 67.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 65.18 49.07 2.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.019 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -90.78 -20.59 22.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.02 -22.27 6.39 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.601 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -130.14 153.51 48.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.655 HG21 HD13 ' A' ' 117' ' ' LEU . 38.0 mt -129.64 149.51 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -132.94 179.34 6.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.77 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 114' ' ' LEU . 7.0 mp -58.81 -27.35 64.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.192 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.35 -62.64 1.55 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.185 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.726 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.0 OUTLIER -54.72 -30.58 56.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.727 ' O ' HD12 ' A' ' 121' ' ' LEU . 6.8 tp -79.1 -30.28 43.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.981 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -30.88 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.0 mt -67.67 -57.02 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 2.6 ptm -57.87 -29.24 64.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.912 HD13 HD12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -76.11 -33.35 59.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.99 -29.07 69.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.72 -39.15 80.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.149 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.7 p -60.32 173.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -85.68 -29.41 26.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.0 131.63 44.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 p -81.14 104.82 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.525 HG21 ' CD1' ' A' ' 133' ' ' ILE . 24.6 mm -101.34 152.93 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.143 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 15.9 p -119.24 167.4 11.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.29 -30.53 66.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.006 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.22 -32.72 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.91 -41.88 64.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.912 HD12 HD13 ' A' ' 121' ' ' LEU . 34.8 mm -65.46 -26.93 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -58.98 -31.32 68.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.59 -38.46 74.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -45.68 85.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.646 ' SD ' HD22 ' A' ' 117' ' ' LEU . 69.5 mmm -74.85 -28.97 60.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.983 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.38 -56.62 19.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -80.4 -20.07 44.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -80.08 -27.47 52.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.508 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -82.21 113.46 20.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -99.24 -26.76 14.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -84.85 -17.65 37.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.127 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 66.27 31.08 8.75 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.875 0.369 . . . . 0.0 110.77 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.601 ' OD2' 'CA ' ' A' ' 163' ' ' ' CA' . 3.4 p30 -92.44 -24.72 18.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.027 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.12 -20.19 8.56 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.643 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -128.2 173.16 10.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 21.7 mt -118.18 150.38 20.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.59 -175.81 4.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -59.47 -42.15 91.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -49.67 74.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -65.45 -41.1 93.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -60.19 -41.31 92.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.451 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -64.81 -50.03 68.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -46.94 77.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -60.24 -31.35 70.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.781 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 45.4 mmm -103.88 23.65 12.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.0 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.51 23.66 3.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.38 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 62.46 0.68 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.0 m -99.42 -34.65 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . 0.601 'CA ' ' OD2' ' A' ' 145' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.779 0.323 . . . . 0.0 111.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.595 HG12 ' O ' ' A' ' 82' ' ' VAL . 13.9 t -110.13 21.59 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.245 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 53.69 -173.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 70.7 m -114.32 -175.78 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 64.57 32.94 11.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.4 ttmt -60.02 -47.8 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -84.43 -30.21 25.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.82 -22.43 47.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.063 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 m -96.06 37.7 1.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.796 0.331 . . . . 0.0 110.986 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -118.41 179.4 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.45 -130.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.95 125.74 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.75 0.309 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -87.05 -172.72 4.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.903 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 93' ' ' THR . 0.5 OUTLIER -67.79 -35.71 79.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.839 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -29.08 69.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.43 -27.61 62.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 mt -56.6 -28.92 61.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.076 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.3 t -58.79 -30.91 67.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.31 -38.8 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.1 mt -70.97 -33.25 70.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -63.64 -39.45 94.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.53 -29.56 69.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmm -58.24 -36.7 73.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -87.98 -31.22 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -69.38 137.84 53.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -101.16 -62.02 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 33.4 p30 -83.88 -18.29 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 107' ' ' ASN . . . 67.66 47.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.88 -18.01 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.14 -22.07 6.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.607 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 22.2 m-85 -130.75 165.79 22.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 31.0 mt -129.63 143.91 39.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -133.15 174.4 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.809 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.83 -30.21 63.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.058 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -39.73 93.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.684 ' HA ' HD12 ' A' ' 119' ' ' ILE . 33.6 mt-10 -71.82 -38.17 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.0 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.527 ' O ' HD12 ' A' ' 121' ' ' LEU . 17.9 mt -68.88 -38.22 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -60.24 -31.11 69.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 116' ' ' GLU . 13.3 mt -73.63 -58.16 5.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.091 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -58.94 -29.68 67.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.706 HD22 HG13 ' A' ' 128' ' ' ILE . 17.7 mt -75.53 -30.27 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -62.67 -30.16 71.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -72.04 -36.06 69.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.9 p -59.94 172.04 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -88.62 -40.28 6.4 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 130.94 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 32.9 p -71.06 105.04 3.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.706 HG13 HD22 ' A' ' 121' ' ' LEU . 26.7 mm -95.13 118.22 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -176.93 5.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.1 mm-40 -62.52 -44.25 96.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.01 -33.73 76.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.651 ' HB3' HG23 ' A' ' 128' ' ' ILE . 0.7 OUTLIER -64.15 -39.43 94.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 130' ' ' GLU . 9.0 mt -68.6 -30.72 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -61.77 -34.13 75.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -61.51 -33.62 74.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.472 HD22 HD22 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -65.56 -38.57 89.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.88 -28.36 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -57.82 -51.95 67.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -84.88 -19.21 32.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.321 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.22 -39.94 30.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.496 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -77.87 141.63 38.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -115.91 -39.18 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 47.5 p30 -96.88 -3.68 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.384 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.2 t30 62.35 61.73 1.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.983 0.42 . . . . 0.0 110.764 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -101.09 -24.35 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.046 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.11 -27.56 6.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.439 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -134.9 -178.86 5.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 36.2 mt -127.53 146.69 32.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.057 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.431 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 3.2 p30 -134.04 177.33 7.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.537 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.541 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.3 t80 -54.95 -52.49 62.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.094 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -53.21 -40.07 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -80.24 -31.97 38.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 157' ' ' MET . 1.8 t80 -72.01 -31.55 66.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.969 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.541 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 21.5 mt -57.86 -35.12 70.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -83.8 -44.3 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -59.44 -41.16 88.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.437 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -77.53 -33.12 54.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.752 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -86.65 70.04 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.799 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.8 68.1 0.76 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.402 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 11.1 t -59.11 -30.83 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.9 mtt . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.789 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 60.03 96.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.089 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -67.05 -68.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 44.0 t -163.03 108.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -146.21 130.2 17.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -151.25 169.4 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.88 89.36 3.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -79.7 -48.19 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.3 m -84.2 95.13 8.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.9 mttp -75.15 -171.2 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.56 -111.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -96.26 92.47 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.8 p -100.29 -176.59 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -29.85 67.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.006 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -59.15 -27.58 65.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.29 -50.47 63.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.19 84.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.27 -35.12 73.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -69.82 -37.2 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.37 -31.27 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -60.05 -35.52 75.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -37.37 86.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -62.51 -33.29 74.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.25 136.29 49.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.38 -64.11 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.9 p-10 -96.04 14.82 22.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.269 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 52.81 60.14 3.99 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.791 0.329 . . . . 0.0 111.246 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.44 17.03 22.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.231 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' TYR . . . 64.84 17.17 62.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.76 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.41 ' CG ' ' O ' ' A' ' 110' ' ' GLY . 78.4 m-85 -157.2 160.94 39.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.849 0.356 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.4 mt -131.75 137.91 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.11 178.89 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.702 HD11 ' HA ' ' A' ' 134' ' ' GLU . 0.4 OUTLIER -61.41 -29.55 70.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.02 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -81.79 -60.94 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.038 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.758 ' HA ' HD12 ' A' ' 119' ' ' ILE . 2.1 mt-10 -55.06 -28.2 50.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.433 ' O ' HD23 ' A' ' 121' ' ' LEU . 29.2 tp -79.37 -29.94 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.013 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.474 ' CG ' HD13 ' A' ' 133' ' ' ILE . 2.8 tmtt? -75.49 -29.8 59.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 116' ' ' GLU . 15.8 mt -69.61 -33.48 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' HD22 ' A' ' 121' ' ' LEU . 3.4 ptm -79.03 -27.19 43.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.017 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.771 HD12 HG13 ' A' ' 128' ' ' ILE . 1.8 mm? -67.99 -30.89 70.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.75 -29.48 66.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.85 -30.94 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.246 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 43.1 p -70.24 160.92 31.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -80.86 -39.89 12.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -65.21 160.93 20.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -99.77 117.34 33.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.771 HG13 HD12 ' A' ' 121' ' ' LEU . 24.2 mm -110.98 140.11 31.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.0 p -98.82 166.59 11.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.5 mt-10 -60.36 -28.7 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.41 -47.55 81.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -40.03 93.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 130' ' ' GLU . 4.6 mt -76.05 -27.83 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.702 ' HA ' HD11 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -61.15 -53.23 59.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.924 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -66.87 -29.22 69.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -40.28 87.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.05 -31.74 27.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -59.26 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -82.05 -18.67 42.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.24 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.71 -27.75 58.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -93.69 141.5 28.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.743 0.306 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 40.0 mmtt -116.05 -39.22 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -85.79 -17.68 35.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.8 t30 68.04 69.4 0.33 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.913 0.387 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -110.19 -22.01 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.043 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.15 -26.24 6.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 50.0 mtt180 -135.7 177.68 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.91 153.79 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.064 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -134.44 -173.55 3.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.747 ' CE1' HD11 ' A' ' 154' ' ' LEU . 27.8 t80 -65.14 -56.64 11.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.39 -31.07 54.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.073 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.04 -51.08 9.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.857 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -57.75 -31.87 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.747 HD11 ' CE1' ' A' ' 150' ' ' TYR . 6.8 mp -60.26 -45.48 93.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -74.88 -39.4 61.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -59.58 -29.44 67.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.769 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -99.93 21.58 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.026 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.56 27.45 2.0 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.331 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.86 62.67 0.68 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.48 29.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.222 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.748 0.309 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.517 ' O ' HG13 ' A' ' 82' ' ' VAL . 12.4 p -136.28 118.25 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -140.3 111.9 7.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 91.4 m -138.84 79.02 1.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.4 ttt -169.2 -44.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -107.33 94.4 5.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.26 -48.43 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -71.12 -178.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.1 m -87.85 -66.91 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.99 175.58 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.36 -66.87 1.45 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.573 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -97.67 87.65 4.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.13 -175.6 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -61.37 -22.48 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.32 -43.32 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -28.84 69.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.133 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.19 -30.68 66.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.0 t -65.67 -31.03 71.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.51 -50.32 70.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.68 -31.29 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.16 -41.14 92.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -60.73 -31.57 70.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtp -69.95 -32.95 71.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.425 ' HB3' HD13 ' A' ' 112' ' ' ILE . 1.4 m-85 -74.36 -33.4 63.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -82.39 146.07 29.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.484 ' HE2' HD13 ' A' ' 119' ' ' ILE . 4.5 tptt -102.91 -41.0 6.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -84.57 -20.26 31.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.213 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 63.84 40.66 7.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.912 0.386 . . . . 0.0 111.03 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -94.46 -25.72 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.984 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 124.98 -10.97 7.81 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.753 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -129.92 158.77 38.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.844 0.354 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.425 HD13 ' HB3' ' A' ' 104' ' ' PHE . 23.0 mt -129.94 147.25 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.181 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -135.11 -175.27 3.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 37.1 mt -59.3 -32.81 70.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -69.5 -57.03 5.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -64.38 -26.66 68.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.577 HD21 ' CB ' ' A' ' 136' ' ' LEU . 47.7 tp -80.47 -30.4 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.97 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -73.27 -46.71 48.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 120' ' ' MET . 2.7 pp -57.65 -42.58 81.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.28 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.724 ' N ' HD12 ' A' ' 119' ' ' ILE . 10.0 ptm -67.02 -29.95 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 117' ' ' LEU . 2.2 mm? -74.15 -31.58 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -60.39 -30.03 69.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.81 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.45 -30.04 66.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.088 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 44.3 p -58.77 158.14 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -79.0 -40.16 17.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.48 144.92 41.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 52.5 p -69.69 110.02 4.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 121' ' ' LEU . 24.8 mm -85.51 144.73 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.054 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.518 HG23 ' H ' ' A' ' 132' ' ' ASP . 11.8 t -106.19 157.48 17.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.51 ' HA ' HD12 ' A' ' 133' ' ' ILE . 2.1 mt-10 -60.46 -32.05 71.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.2 -35.42 80.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.518 ' H ' HG23 ' A' ' 129' ' ' THR . 0.5 OUTLIER -76.02 -45.94 31.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 130' ' ' GLU . 6.3 mt -62.67 -30.16 48.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -72.9 -32.96 65.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -71.99 -27.96 63.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.577 ' CB ' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.15 -37.79 72.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -83.02 -26.88 30.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 7.0 ttpp -57.02 -52.53 64.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 23.3 p-10 -84.77 -21.2 30.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.218 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -77.86 -27.41 58.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.621 -0.799 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -91.91 115.68 28.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.849 0.357 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -109.45 -26.8 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -84.36 -18.78 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 68.33 50.31 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.925 0.393 . . . . 0.0 110.82 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -103.69 -27.39 12.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.01 -27.11 6.55 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -130.69 174.58 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.776 0.322 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 51.3 mt -119.12 140.26 43.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -134.42 -176.66 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 154' ' ' LEU . 33.1 t80 -56.12 -43.93 78.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.12 -47.91 83.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -70.87 -42.34 70.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -59.19 -39.92 84.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 150' ' ' TYR . 5.1 mp -60.3 -34.31 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -79.57 -47.7 15.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.673 ' O ' HG22 ' A' ' 160' ' ' VAL . 77.6 t80 -59.92 -30.43 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 9.0 mmt -83.08 -27.09 30.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -79.62 59.73 3.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.46 70.59 0.84 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 156' ' ' PHE . 24.7 t -64.11 -30.92 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 111.059 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.856 0.36 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 82' ' ' VAL . 16.4 t 64.6 33.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.84 94.8 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.1 p -111.26 -41.12 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.811 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.38 91.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -151.41 31.31 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.971 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.16 -64.85 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.2 103.07 13.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.0 p -90.91 100.85 13.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' HG3' HG23 ' A' ' 93' ' ' THR . 1.1 ptmt -98.77 147.1 25.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -95.25 -80.84 1.53 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.602 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.82 111.54 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.4 HG23 ' HG3' ' A' ' 90' ' ' LYS . 0.7 OUTLIER -100.27 -176.2 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -65.51 -32.37 73.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -63.61 -28.56 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 100' ' ' LEU . 53.8 mm-40 -60.33 -52.54 64.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 154' ' ' LEU . 17.2 mt -76.11 -35.11 59.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -61.09 -32.52 72.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -79.8 -34.39 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 96' ' ' GLU . 1.7 mt -69.68 -32.63 71.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -71.88 -28.89 63.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -60.14 -52.38 65.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.06 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.5 ptp -57.15 -43.64 82.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.411 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -58.2 -31.79 67.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.855 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.46 174.5 11.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -114.99 -48.1 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -113.51 10.99 18.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 53.39 58.76 4.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 111.188 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.1 p-10 -96.3 -28.69 14.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 123.04 -15.74 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.642 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -134.28 154.74 51.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.38 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 104' ' ' PHE . 7.9 mt -129.73 141.9 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -135.05 -175.78 4.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.48 HD21 ' HG3' ' A' ' 134' ' ' GLU . 0.9 OUTLIER -58.48 -31.12 67.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.019 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.75 -54.66 10.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 119' ' ' ILE . 16.1 mt-10 -71.69 -25.38 62.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 23.2 tp -78.65 -34.88 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.232 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -67.63 -28.39 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 116' ' ' GLU . 19.0 mt -74.58 -31.05 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 121' ' ' LEU . 3.7 ttp -64.05 -55.31 23.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.42 HD12 ' CE ' ' A' ' 120' ' ' MET . 8.9 mp -64.35 -27.92 69.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -56.94 -30.48 64.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.28 87.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -60.56 171.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.21 27.99 16.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.497 ' HB2' HD11 ' A' ' 128' ' ' ILE . 42.1 mt-10 -106.97 140.82 39.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.6 p -94.2 86.24 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.497 HD11 ' HB2' ' A' ' 126' ' ' GLU . 3.7 mp -100.17 153.45 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.3 p -106.89 167.64 9.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -59.97 -30.77 69.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -60.08 -36.08 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.91 -29.82 58.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.99 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.2 mm -66.32 -31.57 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.196 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.48 ' HG3' HD21 ' A' ' 114' ' ' LEU . 43.8 mt-10 -68.27 -30.71 69.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.75 -42.81 98.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.966 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -41.92 92.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -30.04 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -59.92 -58.44 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.61 -24.44 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.162 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.38 -27.44 73.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.514 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -97.58 138.8 34.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.788 0.328 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 6.7 mmmt -110.76 -40.51 4.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -86.87 -15.27 39.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 t30 68.21 53.32 0.62 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.931 0.396 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -95.44 -21.47 18.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.13 -27.12 6.51 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.413 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -134.25 174.22 10.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 110.832 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 152' ' ' GLU . 38.2 mt -118.08 133.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -133.86 -167.02 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.649 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -52.75 -48.31 66.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.503 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.29 -47.35 81.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.138 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.442 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.1 mp0 -70.91 -45.22 64.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.069 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -60.35 -31.23 70.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.614 HD13 HD13 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -67.96 -42.62 80.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.956 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.04 -39.87 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.514 ' O ' HG22 ' A' ' 160' ' ' VAL . 13.9 t80 -59.37 -49.87 76.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -49.39 77.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.786 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.87 71.53 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.76 89.67 2.12 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.357 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 160' ' ' VAL . 11.9 t -97.15 35.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.868 0.366 . . . . 0.0 111.229 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.2 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.775 0.321 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 83' ' ' ARG . 11.1 p -173.58 -43.56 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 82' ' ' VAL . 22.0 ptt180 -67.87 -27.45 66.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.3 m 63.28 174.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 32.0 mmm -59.68 163.58 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -136.99 30.61 2.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -94.16 -34.61 12.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.61 -27.29 45.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -84.62 57.44 4.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.58 175.43 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.765 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.56 -177.36 50.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.459 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 87.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.4 p -95.63 -178.21 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.414 ' HG2' HD11 ' A' ' 154' ' ' LEU . 13.8 mt-10 -63.88 -18.83 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.264 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -34.85 79.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.766 0.317 . . . . 0.0 111.047 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.29 61.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 154' ' ' LEU . 6.1 mt -57.65 -30.03 65.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 111.033 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.1 p -62.98 -31.54 72.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -62.22 -34.39 76.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.986 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.35 -29.62 66.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.75 -25.4 61.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.237 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -58.24 7.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.887 0.375 . . . . 0.0 111.028 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -57.19 -44.1 83.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.44 -40.89 88.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.785 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -76.2 106.19 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.474 ' HE2' HG22 ' A' ' 119' ' ' ILE . 0.6 OUTLIER -62.05 -54.46 41.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.928 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -76.23 -29.73 57.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 62.78 43.19 7.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -101.2 -6.36 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.339 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.13 -25.19 5.81 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.429 ' CD2' ' HB3' ' A' ' 149' ' ' ASP . 38.0 m-85 -132.94 160.77 36.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.536 HG21 HD13 ' A' ' 117' ' ' LEU . 32.1 mt -129.77 144.33 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -133.13 175.52 9.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.26 -44.47 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -59.1 -45.66 90.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 119' ' ' ILE . 5.6 mt-10 -72.11 -36.43 69.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 112' ' ' ILE . 8.2 tp -70.4 -43.31 70.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.368 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.15 32.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.338 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 116' ' ' GLU . 17.0 mt -68.82 -52.66 32.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.2 ptm -61.24 -29.43 69.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.614 HD22 HG13 ' A' ' 128' ' ' ILE . 2.7 mt -71.35 -31.94 67.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -59.53 -29.81 68.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.58 85.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.18 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.3 p -60.59 167.2 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -83.07 -35.88 16.86 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.23 132.87 47.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.5 p -78.41 111.44 14.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.614 HG13 HD22 ' A' ' 121' ' ' LEU . 24.7 mm -102.4 134.52 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.16 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.8 p -93.42 179.73 5.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 133' ' ' ILE . 9.1 mt-10 -68.41 -40.76 81.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.944 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.27 -39.78 88.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.418 ' O ' HD12 ' A' ' 136' ' ' LEU . 1.8 m-20 -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.554 HG12 HD13 ' A' ' 121' ' ' LEU . 16.8 mt -73.52 -30.88 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -59.01 -30.7 68.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.35 -39.94 67.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 132' ' ' ASP . 1.7 mp -60.07 -38.04 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.407 ' SD ' HD22 ' A' ' 117' ' ' LEU . 32.6 mmm -82.67 -28.31 30.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -57.57 -52.19 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -84.76 -18.75 34.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.238 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -76.12 -27.44 62.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -91.17 141.44 28.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -109.46 -40.47 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.3 p-10 -87.59 -12.79 44.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 67.14 65.92 0.42 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.877 0.37 . . . . 0.0 110.81 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -109.48 -29.83 8.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 121.03 -20.23 8.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.661 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -128.08 165.28 20.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.335 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 49.4 mt -118.05 144.09 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.429 ' HB3' ' CD2' ' A' ' 111' ' ' TYR . 4.9 p30 -134.61 -175.14 3.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.402 ' CE1' HD23 ' A' ' 154' ' ' LEU . 30.3 t80 -58.69 -44.45 90.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -60.03 -48.91 79.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -68.1 -42.74 79.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -60.12 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.645 HD13 HD13 ' A' ' 97' ' ' LEU . 0.3 OUTLIER -67.1 -47.91 69.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.69 -39.46 84.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.77 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -61.29 -42.86 99.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 2.1 mmt -70.76 -40.35 72.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.69 73.04 9.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.69 66.98 0.73 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.495 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.04 -48.44 86.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.838 0.351 . . . . 0.0 111.24 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 18.9 mtt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.83 0.348 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.6 t 69.14 -67.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -111.01 -35.79 5.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.11 141.39 29.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.64 30.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 mttt 59.09 31.07 20.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -64.34 -28.27 69.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.36 40.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 m -100.38 30.74 3.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.36 39.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -102.17 125.54 8.56 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.79 99.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 p -100.33 -178.92 3.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -33.17 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -25.97 64.4 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -56.99 -40.0 75.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 97' ' ' LEU . 15.2 mt -58.32 -27.25 63.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.018 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -57.36 -30.27 64.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -78.07 -39.31 42.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 mt -70.46 -31.64 68.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.99 -27.73 62.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.05 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.4 mtp85 -62.1 -52.83 62.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.084 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 11.0 ptm -54.5 -43.04 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.08 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.35 -38.61 80.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.72 154.95 36.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.54 -54.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.54 4.12 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.491 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 56.94 62.75 2.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -97.93 -24.1 15.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 125.15 -22.47 6.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.552 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.84 149.41 51.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.898 0.38 . . . . 0.0 110.895 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 28.3 mt -129.54 145.3 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -133.01 -179.7 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.946 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.46 -31.78 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -68.32 -58.99 3.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.982 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -32.46 70.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.977 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.19 -37.08 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.957 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.0 OUTLIER -62.13 -28.38 69.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 43.0 mt -71.32 -55.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.217 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 7.1 ptm -59.48 -31.63 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.427 HD13 HG12 ' A' ' 133' ' ' ILE . 66.4 mt -73.05 -28.57 62.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -61.72 -30.48 70.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -66.43 -45.61 79.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.239 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 60.8 p -59.06 149.52 27.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -96.32 30.49 8.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.644 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.27 -178.48 4.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.822 0.344 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 45.5 p -108.55 95.99 6.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.6 mm -111.98 149.96 14.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 32.3 p -128.53 166.08 19.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.2 mt-10 -58.79 -31.06 68.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.51 -31.65 57.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.816 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 130' ' ' GLU . 8.0 mt -65.25 -31.02 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -71.09 -31.42 67.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -61.08 -41.0 95.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.03 -40.24 88.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -76.11 -27.52 57.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -56.73 -61.51 2.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.062 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -76.27 -18.86 58.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.28 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -75.07 -29.32 60.79 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.477 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -80.11 143.57 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.725 0.297 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -115.04 -34.41 5.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.56 25.06 10.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.218 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 43.0 54.46 4.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.581 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -90.33 -29.32 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 114.42 -24.26 11.53 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.538 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtt-85 -128.2 174.46 9.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 31.2 mt -125.58 138.49 54.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -134.28 -172.39 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.473 ' CE1' HD11 ' A' ' 154' ' ' LEU . 38.1 t80 -55.18 -44.79 75.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.237 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.18 -49.1 79.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.0 -43.85 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.27 -31.08 69.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 150' ' ' TYR . 3.3 mp -71.6 -43.53 66.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -74.76 -39.92 61.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.02 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.73 ' O ' HG22 ' A' ' 160' ' ' VAL . 45.0 t80 -63.02 -47.74 81.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 4.6 mmt -65.29 -43.85 89.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 75.09 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.795 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 103.83 75.79 1.07 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 156' ' ' PHE . 22.8 t -85.53 56.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 111.055 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_