data_2jqh_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 2jqh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 74.3 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.5 -47.49 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 65.2 110.95 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.29 -33.49 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.936 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -69.83 -31.66 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.9 -40.16 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.4 111.09 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.19 -41.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.081 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -46.68 89.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 36' ' ' LEU . 6.1 mt -71.14 -33.48 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.65 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.1 111.107 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.01 -45.82 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.1 110.937 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -65.82 -37.99 87.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.13 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 72.3 111.12 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.32 -34.65 36.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.776 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.86 -47.74 76.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.29 -0.414 . . . . 65.4 110.907 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.51 -43.69 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.95 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -68.48 -32.07 71.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.709 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.19 -44.67 45.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.613 -0.267 . . . . 61.2 110.991 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.3 -33.21 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.365 -0.921 . . . . 52.3 112.047 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -74.06 118.67 17.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.73 0.3 . . . . 74.3 110.839 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -105.66 -36.51 7.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 74.5 111.092 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.24 -53.73 54.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.806 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.29 -33.72 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 53.5 110.737 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.07 75.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.5 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.44 -52.38 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.6 -31.7 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 52.3 110.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 17' ' ' LEU . 21.8 mt -73.99 -37.71 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 63.3 110.915 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.4 -43.53 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.899 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.81 -38.5 86.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -61.18 -45.11 95.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 64.4 110.892 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.44 -40.16 85.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 55.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.94 -32.07 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.2 111.069 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -43.35 87.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -75.32 -38.57 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.1 m-85 -60.25 -51.29 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.857 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.35 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.1 t60 -60.78 -37.29 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.54 -48.85 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.129 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.96 -37.28 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 64.2 111.11 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -73.93 -46.58 43.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.5 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.9 m-85 -71.74 -73.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 75.3 110.914 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -159.22 96.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 62.4 110.93 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.79 -177.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 52.5 111.131 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -81.8 -44.3 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 75.1 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.98 -176.46 39.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 72.2 112.471 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -60.16 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 75.1 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -60.25 -31.63 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.905 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.58 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.09 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.18 -43.01 96.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.939 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.905 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -39.72 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.4 mt -72.54 -34.03 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.2 111.119 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -60.32 -44.29 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 74.2 110.857 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.46 75.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.1 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -74.57 -42.76 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.85 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.17 -31.51 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 50.4 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -82.83 -31.59 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 62.4 110.941 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -50.72 65.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -69.61 -38.93 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.36 -39.97 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.73 -40.86 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -69.51 -51.15 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 65.4 110.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.15 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -72.16 -37.66 69.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.993 -0.548 . . . . 72.2 110.97 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -52.04 67.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.956 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -65.66 -27.94 68.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 73.4 110.916 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.99 -55.56 31.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.049 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -74.83 -36.87 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 74.2 110.771 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 21.3 mt -60.15 -36.63 77.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 73.5 111.066 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -32.66 38.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.81 -0.632 . . . . 71.3 111.086 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.501 -0.318 . . . . 64.3 110.797 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.801 0.334 . . . . 75.4 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.25 -44.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.41 -31.61 70.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -73.62 -35.02 65.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.5 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.4 111.112 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.8 -42.19 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.4 111.159 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.17 -33.52 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.1 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.095 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.5 m -60.41 -48.11 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -60.45 -40.91 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -59.96 -48.24 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 64.3 111.123 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.89 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -34.26 47.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.143 -0.48 . . . . 55.3 111.157 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.25 -51.27 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.493 . . . . 63.4 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.36 -50.98 71.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 72.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -61.58 -32.18 72.27 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.888 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.82 62.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 72.5 111.049 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.73 -28.43 2.53 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.706 -0.759 . . . . 50.1 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.02 107.82 7.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 64.4 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -95.2 -40.76 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 70.4 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -54.53 45.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.3 111.053 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -39.98 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.7 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.22 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.092 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.29 -50.49 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.857 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.97 -31.65 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.1 110.938 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.23 -39.57 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 72.4 110.893 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 19.8 m-85 -60.31 -42.67 96.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.41 -40.87 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -60.69 -44.36 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.4 110.9 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.83 -41.85 92.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.8 -34.84 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 53.2 111.076 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.26 -49.04 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -70.42 -38.55 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 75.3 110.951 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -60.33 -56.96 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.919 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.33 -31.58 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 51.5 t60 -60.36 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.74 -42.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.1 111.169 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.44 -42.57 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.135 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -38.35 77.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.914 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.9 m-85 -81.14 -68.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.946 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -168.16 101.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.92 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.77 -176.16 3.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 54.1 111.09 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -78.03 -53.71 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 54.2 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.57 -173.86 34.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 50.3 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -54.91 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 75.2 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -60.37 -34.07 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.5 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 71.3 111.083 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -60.3 -44.87 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.3 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -60.38 -32.94 71.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.911 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.2 t -67.97 -44.2 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.939 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.8 mt -72.57 -33.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -60.41 -43.76 96.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.28 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -74.4 -42.74 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.14 -31.15 69.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.2 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -83.43 -31.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.94 -47.72 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.05 -41.33 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.4 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.32 -36.25 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.1 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.73 -37.83 64.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -72.28 -34.29 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.65 -34.01 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.115 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.1 -44.96 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -37.14 64.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 73.1 110.722 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.16 -52.3 66.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.859 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -67.69 -27.97 67.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.035 -0.529 . . . . 74.3 110.925 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.01 -57.15 12.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 75.4 111.241 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.6 p90 -67.51 -36.15 80.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 74.3 110.836 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 66.0 mt -63.2 -35.34 79.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.083 -0.508 . . . . 71.3 111.031 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -80.02 -31.19 39.64 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.0 -0.545 . . . . 71.3 110.955 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.32 . . . . 74.2 110.668 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 72.1 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.3 -49.42 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.3 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -60.31 -31.56 70.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -73.46 -31.59 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -73.33 -36.54 66.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.73 -41.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.24 -46.2 91.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.941 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.25 -34.39 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.905 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.49 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.119 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -41.4 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.4 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -32.39 72.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 65.5 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -47.53 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -33.92 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.3 111.128 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.11 -31.7 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.4 111.035 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.63 -50.03 54.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.876 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.61 -38.07 86.21 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.722 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.71 -43.43 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.2 111.02 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.69 -31.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.762 -0.732 . . . . 52.3 112.446 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -69.62 115.62 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 63.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -103.05 -39.48 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.2 110.934 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.23 -47.32 86.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.35 -34.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 70.3 110.605 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.77 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 54.1 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.3 -55.22 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.29 -31.62 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.936 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.12 -38.86 66.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.922 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -60.32 -37.76 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.77 -39.85 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 73.1 110.901 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -60.96 -43.94 98.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.926 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -45.54 92.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.3 111.096 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -64.51 -35.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 53.4 111.102 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.864 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.94 -37.19 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.35 -55.88 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.1 110.854 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.1 mt -60.47 -31.56 70.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.9 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 35.2 t60 -61.29 -35.8 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.928 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.63 -52.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 64.3 111.103 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.94 -36.13 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.2 111.101 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -74.25 -39.47 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.7 m-85 -80.93 -73.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.2 110.913 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.2 97.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.45 -176.12 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.3 111.095 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.29 -49.57 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.5 -171.22 36.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 64.3 112.505 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -60.37 -53.23 60.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 74.2 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -60.36 -31.54 70.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.22 -45.43 48.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 63.5 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -60.31 -51.34 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.2 110.898 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -60.35 -32.96 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 65.4 110.895 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -65.87 -45.45 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.4 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.33 -34.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.043 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -59.52 -49.54 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.52 -31.18 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 53.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -75.8 -43.22 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.16 -31.0 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.927 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -82.94 -31.57 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.917 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -71.15 -48.16 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.3 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -66.65 -42.89 85.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.44 -34.51 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.09 -42.55 89.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -74.46 -35.56 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.934 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.67 -37.33 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 60.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.3 -47.09 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.898 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -71.37 -34.65 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 54.3 110.748 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -52.1 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.4 -0.364 . . . . 74.3 110.823 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -67.58 -27.96 67.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.922 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -53.52 56.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.427 . . . . 74.4 110.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -76.16 -36.98 58.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 75.3 110.752 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.0 mt -59.67 -43.47 93.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 73.4 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 73.5 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 73.1 111.147 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.849 0.357 . . . . 73.3 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -73.89 -36.68 64.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.37 -45.18 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -33.91 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.957 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.33 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.4 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.77 -31.23 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.3 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.26 -44.84 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.898 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.4 -41.06 81.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.5 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 70.1 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -63.32 -39.2 93.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 44.3 110.912 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -73.27 -33.78 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 70.3 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -67.77 -49.75 60.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.14 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 70.1 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.85 -31.44 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.5 111.156 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.49 -52.71 29.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.889 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 30' ' ' TYR . 11.8 t70 -63.38 -40.57 97.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 63.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.68 -32.27 73.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.032 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.61 -30.86 52.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.945 -0.57 . . . . 63.5 111.116 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.25 -28.56 1.95 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 54.5 112.745 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.78 105.09 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.4 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.403 ' CD1' ' OD1' ' A' ' 25' ' ' ASP . 3.3 m-85 -95.31 -41.14 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.2 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.41 -58.14 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 70.5 110.819 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.6 -33.86 73.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.788 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -70.8 -36.14 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.3 111.158 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.4 -49.79 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 63.5 110.914 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.29 -33.08 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.84 -38.16 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.901 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 16.2 m-85 -60.37 -38.19 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.4 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.907 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -60.35 -45.42 93.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.872 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.5 94.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.064 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -66.0 -33.4 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -72.29 -37.67 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.28 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.912 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.38 -31.81 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.458 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 31.8 t60 -62.91 -39.15 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.899 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -73.39 -43.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.1 111.043 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.33 -36.99 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 51.4 111.119 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -31.73 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 3.8 m-85 -87.11 -71.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.883 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.86 95.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.934 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.9 -176.21 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 65.1 111.129 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -74.34 -49.45 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.5 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.6 -172.26 36.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 65.1 112.572 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.53 -54.05 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 75.4 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.3 -35.19 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 52.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.53 83.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.086 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -60.14 -43.6 95.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 65.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -60.32 -32.99 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 54.3 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -39.93 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 60.2 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.0 -34.04 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.3 111.075 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -60.29 -46.94 88.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.53 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -74.23 -43.14 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.969 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.9 m -60.07 -31.12 69.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.934 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -83.96 -31.53 25.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 62.1 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.41 -47.97 65.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 61.4 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.57 -41.51 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.35 -38.77 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.2 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.68 -41.06 75.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.923 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -70.49 -48.16 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.68 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.094 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.97 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -68.62 -36.5 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.5 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.435 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 3.6 mp -62.91 -52.07 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.4 110.806 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -64.66 -27.73 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.744 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.96 -52.33 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.729 0.299 . . . . 73.4 110.85 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 3.0 p90 -83.11 -37.19 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.261 0.553 . . . . 74.3 111.19 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -59.85 -32.67 70.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.805 -0.634 . . . . 75.4 110.964 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -84.53 -37.54 21.13 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.857 0.36 . . . . 72.1 110.778 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.732 0.301 . . . . 75.2 110.668 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.761 0.315 . . . . 73.5 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.68 -45.61 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.886 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -74.37 -31.66 62.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.2 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.07 71.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 70.3 111.1 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.75 -37.6 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 55.3 111.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.57 -45.18 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.3 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mt -73.99 -36.9 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 74.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.4 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -66.55 -42.59 86.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.3 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -68.64 -35.61 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.4 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.93 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.1 111.096 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.62 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.5 111.091 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -76.23 -31.62 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -52.68 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.896 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.8 -44.95 95.85 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.961 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -68.34 -31.53 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.71 -42.07 59.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.488 -0.323 . . . . 74.1 110.856 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.97 -30.43 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.594 -0.812 . . . . 72.4 112.761 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -73.52 120.86 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 64.5 110.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -105.6 -40.93 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 74.1 110.974 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 73.3 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.17 -39.99 94.52 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.337 -0.392 . . . . 74.4 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.08 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 40.1 111.094 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.3 -49.38 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -66.57 -31.91 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.5 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.6 mt -74.49 -40.77 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -60.5 -39.29 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.914 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.32 -42.41 83.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 10.3 m170 -61.12 -43.92 98.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.5 110.923 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.28 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 62.1 111.125 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.44 -33.65 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.079 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -65.58 -49.55 68.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.4 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 67.8 m-85 -69.03 -37.93 78.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.909 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.419 ' CD1' HG22 ' A' ' 61' ' ' ILE . 5.0 m-85 -62.25 -56.75 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.4 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.54 -31.85 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 61.3 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -61.71 -35.38 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 t -78.83 -42.83 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 60.2 111.093 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -39.43 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.073 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -32.56 66.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -86.56 -68.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -167.28 96.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 70.2 110.923 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.53 -169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 71.3 111.063 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.11 -40.13 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.4 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.79 -178.03 41.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 60.2 112.473 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.63 -49.87 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.792 0.33 . . . . 65.3 110.92 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -69.04 -32.32 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.4 110.915 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.18 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.4 111.106 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -60.48 -45.29 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -32.98 71.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.907 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -67.18 -42.01 84.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.3 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' CD1' ' A' ' 44' ' ' PHE . 32.9 mt -72.82 -34.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.091 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -60.21 -44.85 94.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.4 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 55.1 111.134 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.25 -42.61 59.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.902 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -60.27 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.5 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -83.38 -31.69 26.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.881 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -71.56 -48.31 49.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.45 -41.01 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.39 -36.29 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.52 -43.43 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.07 -51.16 57.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.1 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.89 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 62.2 111.077 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.6 -36.62 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.891 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -72.73 -44.38 61.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 70.2 110.479 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 9.1 mp -58.64 -51.71 68.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 64.3 110.829 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -62.87 -27.94 69.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.5 110.758 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -57.63 -55.23 37.55 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 4.7 p90 -78.23 -33.22 49.93 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.367 -0.379 . . . . 70.3 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 51.3 mt -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 73.4 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -83.54 -33.24 25.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.878 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 74.2 111.092 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 74.5 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.67 -36.24 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.913 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.37 -39.92 88.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -72.7 -34.9 67.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 62.1 110.862 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.68 80.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 64.4 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.76 -31.24 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.4 111.157 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.15 -44.58 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.51 82.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.153 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -42.53 96.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -71.44 -37.79 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -63.44 -47.05 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 75.3 111.074 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.76 -31.93 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.34 -52.71 24.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.35 -0.386 . . . . 74.5 110.95 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.35 -49.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.858 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.0 -31.97 70.42 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.79 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -39.5 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.499 -0.319 . . . . 75.0 110.8 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.55 -29.23 0.85 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 75.4 112.344 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -72.3 106.7 4.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.625 0.25 . . . . 74.1 111.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -96.13 -40.85 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 73.2 111.272 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.53 -54.14 49.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 74.0 110.666 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.25 -43.28 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 73.4 111.03 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.28 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.06 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.3 -52.9 63.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 73.4 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.96 -32.13 71.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.3 -39.32 65.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 19.1 m-85 -60.51 -40.75 92.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.3 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -65.74 -43.69 88.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.1 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 7.4 m170 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.941 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.79 -46.76 88.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.3 111.095 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 t -64.57 -37.03 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.3 111.082 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.57 -47.63 80.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.1 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 55.6 m-85 -73.38 -38.17 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' HG23 ' A' ' 61' ' ' ILE . 4.7 m-85 -60.28 -53.5 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.17 -31.39 71.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.92 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.456 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 54.7 t60 -60.16 -38.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.25 -50.15 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.1 111.13 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.27 -36.15 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.1 111.106 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -40.03 56.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.0 m-85 -78.11 -73.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.898 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -161.85 98.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.23 -169.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 75.3 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -91.46 -41.87 10.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.94 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.05 -179.88 41.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 71.2 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -60.28 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 75.3 110.916 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -67.9 -31.51 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 42.2 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.3 111.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -60.12 -32.99 71.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.4 110.921 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 t -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.413 HG23 ' CD1' ' A' ' 44' ' ' PHE . 30.6 mt -72.21 -33.95 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -60.29 -42.72 96.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.39 74.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.111 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 26.7 mtmt -75.03 -40.87 60.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 75.5 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.85 -31.17 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.957 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -82.38 -31.62 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.65 -48.46 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 24.4 m-85 -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -36.54 78.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.05 -41.87 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -72.74 -49.79 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.57 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.089 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 -45.95 90.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 54.3 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.61 -38.01 62.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.002 -0.545 . . . . 63.2 110.659 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.0 -52.1 66.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.387 -0.37 . . . . 65.2 110.939 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -67.83 -27.86 67.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.151 -0.477 . . . . 63.2 110.896 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.67 -56.73 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 73.2 111.209 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.1 p90 -67.41 -36.4 81.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.536 -0.302 . . . . 73.1 110.757 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.9 mt -63.0 -36.54 83.87 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.035 -0.529 . . . . 71.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -82.03 -31.49 30.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.725 0.297 . . . . 72.3 110.92 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 62.1 110.892 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 74.2 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.14 -41.93 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 71.3 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -31.55 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.912 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.31 -31.57 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 54.3 111.107 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.33 -38.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 64.5 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.49 -44.97 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.29 -39.19 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.879 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.72 98.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 72.2 111.085 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -63.37 -41.97 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.2 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -68.93 -40.65 78.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.2 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -61.82 -45.83 92.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.121 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.42 73.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 75.3 111.091 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -36.4 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 72.4 110.937 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.39 -46.04 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.316 -0.402 . . . . 72.1 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.67 -51.04 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 64.5 110.792 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -41.06 64.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 73.1 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.63 -29.05 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.701 -0.762 . . . . 64.1 112.584 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -73.6 116.38 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.61 -0.347 . . . . 60.4 110.932 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.01 -41.83 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.93 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.5 -52.72 63.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.57 -43.28 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.3 111.058 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.24 81.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 54.2 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.4 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.2 110.91 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.35 -33.3 75.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.93 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.57 -37.27 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 14.9 m-85 -60.34 -47.05 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 62.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -62.48 -40.1 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.912 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.78 -43.13 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.938 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.37 -41.3 89.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.093 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.74 -37.3 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.3 111.089 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -60.22 -47.98 83.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.44 -38.5 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.917 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.37 -52.6 64.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.2 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -34.44 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.873 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.56 -38.99 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.863 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.11 -52.57 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 52.1 111.063 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.03 -36.04 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 71.3 111.123 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.75 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -104.29 -61.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.3 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.61 105.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 65.2 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.97 -169.84 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.3 111.097 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -61.84 -42.15 98.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.1 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.17 -150.43 7.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.739 . . . . 75.1 112.505 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -81.24 -56.19 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 72.2 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -60.1 -33.67 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.913 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.99 97.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.5 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.11 -33.02 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -69.97 -37.0 75.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.917 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.8 mt -73.89 -33.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.2 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -60.8 -48.04 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.27 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.066 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -76.16 -43.01 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.896 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 m -60.15 -30.9 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -82.41 -31.53 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.3 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.2 -47.65 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -69.15 -41.34 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.925 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.34 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.1 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.88 -37.32 84.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.39 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 54.2 111.062 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.86 -43.25 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.33 -37.74 63.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.947 -0.57 . . . . 75.2 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -52.45 65.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.221 0.534 . . . . 62.3 110.875 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -67.62 -28.12 67.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 73.1 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.99 -56.98 12.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.094 -0.503 . . . . 54.3 111.263 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.82 -36.13 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.1 110.626 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 72.0 mt -62.9 -34.96 78.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.5 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -81.52 -31.7 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 73.1 111.105 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 74.4 110.965 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 61.1 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.9 -46.08 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -32.9 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 73.3 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -73.2 -32.47 64.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.92 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.72 -36.58 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.3 111.118 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.81 -36.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.4 111.108 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -44.8 96.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 53.3 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.61 -37.14 70.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.74 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -67.28 -43.4 81.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.899 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -69.24 -40.93 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.91 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 72.5 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.6 82.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.2 -0.454 . . . . 75.4 111.038 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.33 -52.68 63.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.16 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -61.89 -35.64 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.19 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 70.0 111.32 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.91 34.8 0.94 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.625 -0.798 . . . . 43.4 112.461 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -131.32 93.25 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 70.2 110.839 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.34 -31.31 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.897 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -67.14 -55.19 15.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.27 -42.4 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.877 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.2 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.03 -51.76 68.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 70.1 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.08 -30.97 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.29 -40.16 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 60.4 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 12.9 m-85 -59.45 -39.22 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.56 -39.05 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -60.59 -46.21 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.865 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.64 -42.45 92.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 62.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -65.37 -35.75 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.4 111.088 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.83 -49.31 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.75 -35.76 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.934 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 6.0 m-85 -63.45 -54.17 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.925 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.67 -31.59 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 63.3 110.865 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 42.3 t60 -60.28 -40.95 92.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 70.1 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.58 -34.21 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.4 111.106 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.56 -36.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.3 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -40.85 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.885 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.6 m-85 -78.98 -72.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -166.36 98.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.63 -169.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.4 111.104 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.04 -54.8 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 62.5 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.01 -176.52 31.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 63.1 112.542 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -60.36 -49.21 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 62.5 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -36.56 83.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.924 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.39 99.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.5 111.092 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.31 -43.89 95.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.922 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.37 -32.98 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 62.2 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.2 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.95 -33.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.5 111.057 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -62.22 -41.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.62 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 53.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -83.01 -38.32 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 75.5 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.92 -30.98 72.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 64.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 t -86.4 -29.73 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.28 -47.38 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 72.1 110.824 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -73.98 -40.45 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 73.2 110.936 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.81 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.2 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 74.2 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.42 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.102 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.13 -40.8 91.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 65.1 110.903 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -72.77 -37.79 67.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 75.2 110.618 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.43 -52.06 67.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 74.4 110.849 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -65.57 -28.04 68.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.64 -54.42 46.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.262 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -76.86 -37.71 55.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.353 -0.385 . . . . 73.2 110.922 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.454 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 23.0 mt -59.0 -30.28 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 71.1 111.028 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -87.28 -31.21 20.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 75.3 110.867 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 65.2 110.88 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.333 . . . . 75.3 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -74.33 -38.64 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -38.03 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.2 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -35.53 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.871 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.19 84.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.155 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.79 -31.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.2 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.59 -46.76 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.93 -40.5 95.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.881 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.85 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.2 111.101 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.94 -31.7 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -68.52 -48.3 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.89 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.18 -35.12 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.937 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.4 -48.27 76.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.795 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.26 -44.72 87.19 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -62.44 -31.94 72.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.142 -0.481 . . . . 65.4 110.959 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.43 -44.11 53.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 70.3 111.326 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.67 -30.87 0.62 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.805 -0.712 . . . . 70.3 112.489 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -71.17 118.64 14.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.565 0.222 . . . . 64.2 111.37 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -106.57 -35.95 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 73.4 110.905 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.02 -53.66 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.5 110.838 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.16 -32.83 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 71.4 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -69.35 -39.7 77.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 72.1 111.102 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.3 -52.25 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 62.3 110.91 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.53 -31.67 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.2 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.65 -40.99 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 22.8 m-85 -60.32 -38.34 83.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.943 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -69.09 -41.55 77.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.4 110.92 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 6.5 m170 -60.78 -44.25 97.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.81 -47.06 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 71.2 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 t -64.31 -33.1 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 55.2 111.111 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.8 -49.97 68.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 66.1 m-85 -72.08 -36.26 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.1 110.869 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 5.6 m-85 -61.24 -56.16 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.89 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.34 -31.62 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 40.3 t60 -60.61 -37.8 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.08 -40.2 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.4 111.139 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.92 -39.62 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.125 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -71.76 -54.87 8.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 54.4 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 9.0 m-85 -60.32 -73.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.06 91.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 71.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -176.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.069 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -84.9 -45.72 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.897 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -179.84 41.2 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 43.2 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.28 -53.0 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 74.3 110.932 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -60.36 -32.78 71.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.4 110.883 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.65 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -60.11 -48.41 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.4 110.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -60.18 -32.98 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 55.1 110.938 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -47.57 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.911 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 61' ' ' ILE . 32.1 mt -71.29 -33.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.3 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -60.0 -41.41 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.85 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.42 72.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.138 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -76.3 -37.27 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.2 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.9 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 61.4 110.897 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -80.53 -31.57 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.2 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.59 -47.93 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.4 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.8 -39.75 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.3 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.57 -43.24 97.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.3 110.868 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.24 -47.85 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -69.28 -48.75 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 55.5 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.34 -45.39 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 72.2 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -72.38 -37.36 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.898 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.804 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -65.94 -28.09 68.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 75.1 110.86 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.11 -54.81 40.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.231 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.441 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -74.73 -36.76 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 75.3 111.194 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 22.9 mt -59.71 -35.49 74.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.867 -0.606 . . . . 72.1 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.91 -31.56 22.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.496 . . . . 61.1 111.024 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.852 0.358 . . . . 74.3 110.876 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 73.3 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -72.21 -45.17 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 70.1 110.883 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -60.33 -31.6 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.3 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -31.63 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.81 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.3 111.114 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.56 -38.88 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.114 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.14 -45.67 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 65.1 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.51 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.097 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -61.23 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 54.1 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.43 -37.38 87.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.865 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -65.33 -47.61 75.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 62.4 111.083 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 60.4 111.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -83.0 -31.99 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.635 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.06 -43.38 74.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.462 -0.336 . . . . 71.1 110.904 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.96 -45.91 66.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.929 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -60.14 -31.86 70.48 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.721 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.72 -32.51 57.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.572 -0.285 . . . . 71.1 111.154 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.93 -28.57 2.13 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.604 -0.808 . . . . 52.0 112.805 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.04 109.91 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 54.5 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.6 -33.66 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.71 -53.23 35.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.93 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -45.13 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 73.4 110.778 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -60.23 -36.19 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 60.1 111.094 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.31 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 65.4 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -32.08 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.45 -37.97 56.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.9 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 14.8 m-85 -60.5 -43.22 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.897 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.26 -43.91 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.44 -42.49 96.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.23 93.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.141 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.84 -38.37 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 63.2 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.77 -49.51 77.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.08 -39.78 75.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.914 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.13 -55.52 32.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.897 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.07 -32.91 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.98 -42.92 99.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.26 -53.25 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.183 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.14 -36.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -32.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.38 -66.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 74.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -158.5 96.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.11 -169.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 73.1 111.081 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -90.75 -33.68 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.38 -177.57 46.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.2 112.511 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.98 -55.72 30.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.2 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -60.23 -30.97 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -59.66 -53.39 58.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -33.01 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -66.35 -48.01 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.869 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.44 -33.89 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.087 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -59.05 -46.65 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.87 71.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.2 111.05 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -76.72 -41.21 46.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.92 -30.76 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.3 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.71 -31.34 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.62 -47.63 46.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.29 -43.24 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 75.5 110.887 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -60.26 -38.73 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 54.4 110.939 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.22 -46.54 89.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.935 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -70.58 -50.59 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.878 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -74.97 -32.45 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 74.5 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -61.01 -51.83 67.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 62.3 110.845 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -69.44 -27.86 65.61 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.129 -0.487 . . . . 63.4 110.963 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.69 -54.44 41.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 74.1 111.044 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.3 p90 -70.49 -33.65 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 72.5 110.915 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.458 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 58.9 mt -67.39 -35.09 78.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.41 -0.359 . . . . 73.5 110.869 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -42.34 31.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.757 -0.656 . . . . 65.1 110.993 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 74.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.03 -38.48 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -60.18 -41.52 93.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -34.82 69.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.926 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.31 84.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.12 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.99 -31.11 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.45 -50.1 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 60.2 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.3 110.926 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.2 111.089 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -61.44 -38.62 87.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -69.94 -44.9 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.5 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -62.7 -48.98 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.31 75.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 64.4 111.096 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.92 -31.49 31.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.104 0.478 . . . . 73.4 111.186 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.88 -46.6 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 73.4 110.849 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.24 -47.03 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -32.19 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 75.1 110.986 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.26 34.3 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.898 -0.592 . . . . 72.4 110.867 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.78 -29.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.901 -0.666 . . . . 54.3 112.624 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -73.22 112.21 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 63.3 110.888 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.87 -38.06 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.881 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.37 -56.26 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.04 -33.73 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.2 110.895 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -69.6 -36.23 76.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 42.1 111.097 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.2 -52.45 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -62.97 -31.52 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.958 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 mt -74.45 -38.44 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.864 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 15.7 m-85 -60.3 -44.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.74 -36.84 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.2 110.918 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 7.6 m170 -62.35 -44.44 96.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.1 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.04 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.4 111.12 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.0 t -63.18 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.077 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.03 -46.37 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 62.8 m-85 -71.89 -30.81 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.18 -50.47 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.19 -31.36 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.415 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 62.9 t60 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.09 -43.25 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.2 111.044 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 t -62.82 -36.11 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 70.1 111.096 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -77.88 -45.36 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -67.56 -73.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.2 94.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -176.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 45.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -82.37 -49.61 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 52.3 110.895 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.87 -176.15 36.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 42.4 112.53 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.55 -49.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 61.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.27 -31.58 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.939 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 -44.5 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.3 111.084 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -59.8 -48.44 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.89 -33.09 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 64.1 110.934 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -62.97 -38.97 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.1 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.44 HG23 HD12 ' A' ' 61' ' ' ILE . 35.0 mt -69.75 -34.02 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.1 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -59.21 -46.19 89.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.903 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.11 81.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 31.4 mtmt -75.98 -37.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.4 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.6 -31.63 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -82.35 -31.32 29.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -72.38 -47.49 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 24.1 m-85 -69.22 -42.04 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.924 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.16 -50.3 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -61.13 -47.39 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -62.12 -46.45 88.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.872 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -37.11 75.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.22 -41.89 94.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -43.25 77.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 53.2 111.252 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 2.4 mp -58.47 -52.11 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 74.2 110.839 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -61.64 -27.98 69.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.17 50.1 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.106 -0.497 . . . . 62.1 111.096 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.3 p90 -81.89 -37.08 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.875 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 19.4 mt -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 72.3 110.93 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -31.86 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.996 -0.547 . . . . 72.2 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.999 -0.546 . . . . 64.3 110.744 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.841 0.353 . . . . 72.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp -76.06 -37.83 57.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 62.2 110.977 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.38 -36.47 78.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.98 -35.56 59.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.5 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.52 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.094 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.51 -33.9 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.1 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.13 -50.0 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.03 -37.9 86.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.909 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.24 94.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -68.88 -43.17 75.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -63.41 -41.79 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 54.1 110.906 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.95 -46.99 87.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.07 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 52.2 111.121 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -77.3 -32.27 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 52.2 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.25 -52.66 25.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.65 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.4 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -74.29 -28.47 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.935 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.49 23.6 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 70.2 111.342 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.48 -40.39 2.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 73.5 112.609 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -57.15 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.251 . . . . 74.4 111.3 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -89.88 -43.53 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 72.5 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.34 -54.79 41.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 64.2 111.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.73 -31.95 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 74.4 110.911 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -70.66 -37.72 73.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 75.3 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.09 -44.39 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 75.2 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.82 -35.3 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mt -74.89 -39.31 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 17.9 m-85 -60.51 -45.88 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.05 -38.56 91.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 8.1 m170 -60.28 -47.19 87.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.918 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -57.72 -45.21 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.158 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 t -63.5 -42.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.1 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -60.26 -45.2 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 57.0 m-85 -71.11 -31.71 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.879 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 8.5 m-85 -72.49 -49.85 30.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 60.3 110.861 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 65.0 t60 -69.88 -39.85 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.895 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 t -70.41 -54.26 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 61.3 111.113 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.84 -41.9 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 65.1 111.109 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HE3' ' CE1' ' A' ' 50' ' ' TYR . 13.3 ttpp -66.29 -36.77 83.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.7 m-85 -82.46 -69.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -169.37 92.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.866 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.64 -169.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.1 111.106 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -74.75 -46.76 35.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.42 -103.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 74.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -125.6 -59.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 75.1 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.87 -31.86 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.19 93.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.047 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -60.09 -41.11 91.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.18 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -66.98 -36.18 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -71.97 -34.0 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.077 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -60.19 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 61.4 110.827 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.76 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.2 111.083 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 52.1 mtmt -76.59 -39.39 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -30.33 68.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -84.08 -31.3 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 53.3 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.53 -47.54 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.903 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 16.4 m-85 -72.01 -38.3 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.954 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.42 -48.65 78.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.925 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.15 -39.05 88.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -73.86 -49.29 25.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.53 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.124 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.24 -39.3 86.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -42.24 63.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.14 -0.482 . . . . 71.3 110.642 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.14 -52.08 67.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 74.5 110.895 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.3 -27.93 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.853 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -56.77 17.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.1 111.083 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 3.7 p90 -73.1 -35.88 66.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.471 -0.331 . . . . 75.4 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 64.7 mt -63.6 -31.14 72.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.091 -0.504 . . . . 73.4 110.99 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -79.61 -42.67 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 70.2 110.95 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 72.2 110.73 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 73.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.64 -35.13 60.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 45.4 110.874 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -32.06 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.895 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -38.51 29.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.3 111.114 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.14 -35.55 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.1 111.16 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.12 -40.55 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 53.4 110.859 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.7 -36.52 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.27 91.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 54.4 111.076 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.15 -40.93 74.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.4 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.26 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 62.1 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -61.98 -50.48 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 53.3 111.052 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.66 73.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.4 111.126 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -78.95 -31.69 45.18 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.171 -0.468 . . . . 72.4 111.316 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.32 -50.41 53.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.4 110.948 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.51 -50.52 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.898 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -61.65 -31.43 71.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.81 69.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.201 0.525 . . . . 74.0 111.504 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.45 -31.66 2.02 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.566 -0.826 . . . . 53.0 112.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.34 116.9 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 71.5 111.056 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.24 -34.81 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.1 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -60.15 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 71.4 110.749 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.96 -35.52 78.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 61.2 110.929 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.28 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 62.2 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.28 -50.93 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.4 110.912 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.05 -31.57 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -73.82 -41.65 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.912 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 25.9 m-85 -60.4 -34.36 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.91 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -72.62 -44.34 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -60.46 -43.93 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.89 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.04 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.7 t -66.25 -33.32 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.105 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -67.39 -47.12 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.1 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -73.28 -37.89 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.89 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.51 -56.19 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 75.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.97 -31.56 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.3 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 48.9 t60 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.1 110.882 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.09 -43.97 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.1 111.164 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 t -67.02 -36.11 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.048 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -42.87 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 8.3 m-85 -74.91 -73.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 95.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 -176.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.064 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.67 -36.03 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.903 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.54 -175.6 47.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.1 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.32 -54.48 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.2 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.15 -31.53 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.3 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.28 -43.84 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.2 111.122 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -60.26 -48.29 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.18 -33.02 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -64.44 -45.1 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.8 mt -71.9 -34.01 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.113 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -60.26 -42.18 94.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.1 110.863 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.6 -36.22 73.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 61.3 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -75.47 -39.89 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -31.11 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.5 110.914 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 -31.5 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.3 110.876 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.32 -47.74 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.865 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.44 -39.52 88.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.93 -31.88 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.9 -53.84 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.897 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -65.84 -45.54 81.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.943 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.57 94.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 70.4 111.095 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.25 -42.11 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.888 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -70.76 -41.01 72.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 72.2 110.574 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -59.47 -51.52 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 75.2 110.769 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -62.85 -27.58 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 75.4 111.016 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.63 -54.07 51.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.5 110.968 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 4.0 p90 -81.44 -36.73 29.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.311 -0.404 . . . . 74.4 110.466 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 17.9 mt -60.02 -33.38 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.489 . . . . 75.4 110.889 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -86.09 -31.58 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.929 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.085 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 74.2 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.35 -40.1 45.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.871 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -79.25 -37.87 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.2 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.7 96.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.148 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.8 mt -75.93 -34.88 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.2 111.145 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.2 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.61 -37.61 82.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.847 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.96 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.075 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -79.87 -41.23 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.88 -45.87 66.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -60.05 -47.95 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 63.1 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.3 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 54.1 111.095 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -79.4 -35.11 41.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.207 -0.452 . . . . 70.3 111.366 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.45 -52.75 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 72.3 110.893 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.13 -47.32 86.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -62.44 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.06 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 73.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.63 -28.26 0.54 Allowed Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.561 -0.828 . . . . 70.4 112.431 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.31 121.91 22.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.339 . . . . 73.4 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -108.23 -35.44 6.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.202 0.525 . . . . 73.4 111.114 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.97 -57.76 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 70.5 110.496 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.785 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -66.77 -40.49 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 51.5 111.082 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.22 -43.7 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.888 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.94 -40.34 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.67 -38.22 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 62.1 110.919 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 13.3 m-85 -60.02 -46.22 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.3 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -60.21 -40.79 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.924 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -63.49 -36.5 83.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.924 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 72.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.76 -36.05 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -64.31 -44.94 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 71.4 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -74.34 -36.7 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.911 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.42 ' CD1' HG21 ' A' ' 61' ' ' ILE . 11.0 m-85 -65.76 -48.85 70.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.937 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.82 -33.89 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 65.4 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 41.4 t60 -65.66 -31.69 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.2 t -79.42 -51.99 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 63.5 111.077 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.21 -40.85 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 64.4 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -65.18 -43.36 91.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.924 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -73.16 -69.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.6 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -178.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.1 111.088 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.57 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.946 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.68 -157.7 7.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 70.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -73.24 -58.22 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 73.2 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.33 -31.57 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.911 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.86 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.76 -42.73 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.99 72.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -46.27 60.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 61.4 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 61' ' ' ILE . 34.3 mt -69.92 -34.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 63.1 111.076 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -59.49 -49.16 78.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.86 -32.42 73.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.2 111.114 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 38.3 mtmt -76.8 -41.43 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.939 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -30.55 68.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.4 110.939 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -82.67 -31.68 28.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -69.25 -47.81 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 18.5 m-85 -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.01 -41.51 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.91 -46.83 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -63.88 -32.65 74.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.878 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.28 -40.54 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 63.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.98 -36.86 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.945 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -75.44 -39.05 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 7.5 mp -62.73 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 70.3 110.886 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.96 -28.1 69.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.888 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.81 -51.22 70.94 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.361 -0.381 . . . . 61.5 110.99 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 2.8 p90 -84.23 -37.25 22.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.626 -0.261 . . . . 74.4 111.231 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -60.06 -42.85 95.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.922 -0.581 . . . . 70.4 110.914 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -31.72 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 71.2 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 73.1 110.591 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 74.3 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.32 -44.63 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.926 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -60.28 -31.62 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -74.39 -31.64 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.885 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -72.48 -36.66 68.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 70.5 111.117 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.61 -36.88 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 72.4 111.091 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.53 -45.41 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.868 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.01 -37.51 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.871 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.92 -33.58 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.4 111.108 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -46.28 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -67.67 -42.1 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.4 111.015 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -59.92 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 70.5 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.4 74.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 45.5 111.115 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -78.19 -35.42 48.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 64.1 111.025 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.38 -52.62 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -47.43 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 65.2 110.858 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -61.09 -31.73 71.41 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.003 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.4 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 72.2 111.169 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.36 -28.97 1.5 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.402 -0.904 . . . . 75.4 112.482 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -71.86 117.86 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 65.2 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -103.06 -42.31 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.902 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.5 111.021 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.28 -42.29 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 51.3 110.917 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.25 82.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.2 111.078 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.858 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.25 -35.17 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 64.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.17 -39.14 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 73.1 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.72 -51.05 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -37.85 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 52.5 110.951 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 7.7 m170 -60.59 -45.98 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.92 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.2 111.109 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.55 -45.73 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.57 -38.44 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 55.1 m-85 -75.29 -31.24 60.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 14' ' ' ALA . 11.1 m-85 -77.8 -50.37 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 64.3 110.909 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.31 -31.59 72.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 40.9 t60 -67.55 -48.85 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.32 -48.96 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 t -63.35 -36.11 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 44.3 111.039 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.58 -39.81 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.927 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.0 m-85 -77.56 -73.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -161.61 94.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.3 110.875 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.28 -176.05 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.138 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -82.51 -39.08 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 178.12 43.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 62.4 112.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.19 -55.52 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 41.5 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -32.99 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.881 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.72 93.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.3 111.06 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.46 -46.31 90.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.925 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.97 -33.02 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 71.1 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -43.86 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.45 -33.99 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.047 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.903 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -27.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -78.97 -46.37 18.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.065 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -60.27 -33.08 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.949 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -79.3 -31.55 43.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.64 -48.32 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 18' ' ' ALA . 23.0 m-85 -71.54 -33.49 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.901 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.26 -44.62 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 70.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.1 -44.52 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -66.89 -47.5 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -32.89 73.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 62.2 111.069 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -60.41 -43.52 96.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -74.49 -39.19 62.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.471 . . . . 62.4 111.204 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.5 -51.99 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 74.2 110.847 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -67.6 -27.89 67.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.877 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.5 -56.73 15.78 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.248 -0.433 . . . . 74.5 111.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.366 . . . . 73.2 110.637 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.9 mt -62.07 -40.9 97.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.892 0.377 . . . . 73.5 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.27 -32.04 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.5 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.831 -179.64 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 72.4 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.14 -46.27 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.945 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -60.04 -35.09 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CD ' ' CE2' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -77.76 -31.35 51.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 44' ' ' PHE . . . -66.73 -38.45 86.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 53.4 111.095 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -76.11 -33.6 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 53.5 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.24 -40.6 90.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.876 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.0 -42.23 60.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.2 110.878 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.37 94.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.1 111.11 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 64.5 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -71.12 -36.7 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.931 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.1 111.089 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.95 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 51.3 111.093 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -76.43 -31.96 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.4 110.793 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.0 -49.01 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.87 0.367 . . . . 71.2 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.53 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.4 110.879 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.51 -33.88 76.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.179 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.92 -47.28 66.15 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.895 -0.593 . . . . 72.1 111.109 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.39 -31.84 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.134 -0.555 . . . . 60.3 112.787 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -74.26 117.16 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 64.3 110.844 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -103.87 -39.14 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.35 -54.97 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 61.5 111.058 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.2 -36.0 80.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 73.5 110.687 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.82 92.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.2 111.123 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.24 -48.07 83.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 62.1 110.919 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -35.44 75.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.5 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.91 -38.63 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.913 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 15.6 m-85 -60.31 -43.62 96.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 74.3 110.929 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.72 -42.15 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.34 -44.2 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.1 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 74.1 111.116 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.02 -32.15 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.7 -45.28 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 70.5 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.426 ' CE2' ' CD ' ' A' ' 13' ' ' LYS . 72.6 m-85 -75.34 -32.55 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.4 110.872 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 7.0 m-85 -67.65 -38.84 84.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.7 -30.87 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 56.9 t60 -63.1 -55.64 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.54 -43.61 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.2 111.131 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.74 -40.76 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.1 111.07 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 4.0 ttpt -69.63 -42.78 73.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -72.67 -71.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.75 92.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.894 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -176.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.3 111.142 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.97 -41.48 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.1 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.3 -176.9 39.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.485 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.52 -55.11 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 74.2 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -62.48 -32.91 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.47 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 61.2 111.089 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -60.31 -42.49 95.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.867 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.34 -33.01 71.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 60.3 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -43.39 71.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.458 HG21 HD11 ' A' ' 61' ' ' ILE . 32.9 mt -69.76 -33.98 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.4 111.097 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -60.68 -46.78 89.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.13 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 65.4 111.114 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 11.9 mtmt -73.28 -43.26 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 -30.79 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.878 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 t -85.32 -31.69 22.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.859 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -69.25 -47.87 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 17.3 m-85 -71.49 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.27 -44.78 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 75.3 110.876 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.64 -39.57 94.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.2 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -72.19 -49.92 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.889 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.79 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.2 111.061 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.17 -40.09 88.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.937 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.17 -41.28 70.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 6.3 mp -59.14 -52.04 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.834 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -62.82 -27.87 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.59 -52.6 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 72.1 111.043 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.6 p90 -83.84 -33.41 24.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.844 0.354 . . . . 75.3 110.778 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.437 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 23.6 mt -65.97 -36.83 84.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.894 0.378 . . . . 74.2 110.752 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -31.31 28.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 70.1 110.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.497 -0.319 . . . . 55.4 110.922 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 74.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.18 -39.07 72.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.26 -33.88 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.888 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -36.07 43.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.53 79.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 71.4 111.09 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.37 -38.85 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.29 -45.02 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.52 -42.88 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.943 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -46.83 88.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 43.3 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -48.2 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 64.2 110.857 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.4 -42.73 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -60.2 -45.1 94.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.58 70.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.04 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -78.98 -36.57 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 71.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.52 -52.72 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.89 -44.89 88.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.2 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -63.5 -31.83 73.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.942 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.17 -43.38 34.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.438 . . . . 75.4 111.447 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.44 -29.85 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.054 -0.593 . . . . 71.4 112.812 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -74.33 112.73 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 73.2 110.801 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -98.86 -36.69 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.868 0.366 . . . . 75.1 111.081 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.69 -53.31 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -36.65 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.47 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.1 111.067 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.27 -49.23 78.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.909 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.3 110.881 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.65 -40.23 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.39 -49.81 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.893 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -60.6 -38.89 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 54.1 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.29 -44.64 95.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.89 87.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 70.1 111.079 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.17 -35.08 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.131 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.36 -49.75 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.1 110.883 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -72.56 -36.45 68.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 73.2 110.887 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.19 -56.29 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.71 -31.58 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 45.5 t60 -60.28 -37.79 81.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.898 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.36 -34.1 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.1 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.15 -36.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.09 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -31.66 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.4 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -87.56 -72.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.932 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -162.47 97.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 70.1 110.895 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.23 -169.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 71.1 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -89.44 -36.25 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 65.4 110.884 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.76 -173.97 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.5 112.53 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.36 -55.98 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 62.3 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -59.97 -30.96 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.11 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 62.2 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -60.08 -52.57 64.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.915 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -33.05 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.904 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -63.47 -44.64 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 53.4 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.05 -33.99 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.3 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.57 93.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.924 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.47 -33.52 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.033 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -76.27 -42.08 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.94 -31.0 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -81.87 -31.48 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.33 -47.63 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.41 -36.42 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.94 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.26 -37.28 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.45 -43.07 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -67.45 -51.78 47.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.2 110.939 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.82 92.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.1 111.109 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -34.42 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -72.38 -42.36 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.928 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 8.9 mp -59.25 -52.02 67.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.1 110.916 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -63.15 -27.89 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.3 110.846 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.65 -56.92 15.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.4 p90 -76.37 -37.8 56.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.197 0.523 . . . . 74.2 110.875 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 27.1 mt -58.8 -31.12 68.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.016 -0.538 . . . . 73.3 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -79.86 -42.91 23.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.341 . . . . 73.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 120.936 0.398 . . . . 72.4 110.885 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 70.1 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.49 -35.92 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.889 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.54 -49.32 78.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.861 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.24 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.2 111.088 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.89 -33.5 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 70.5 111.06 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.92 -49.57 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.3 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.23 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 70.3 111.093 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m -61.64 -44.0 97.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.896 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -70.62 -39.16 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.956 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -60.14 -47.49 85.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.1 111.101 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.85 89.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 63.4 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -74.36 -31.49 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.106 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.66 -38.7 77.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.4 110.889 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.04 -51.04 27.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.2 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.3 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.3 72.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 71.5 111.234 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.38 -28.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.973 -0.632 . . . . 51.2 112.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.26 115.5 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 62.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.64 -36.04 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.3 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -64.51 -55.49 20.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.224 -0.443 . . . . 62.2 111.096 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -41.91 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 75.1 110.955 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.24 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 44.1 111.082 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.29 -50.2 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.939 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -62.57 -31.59 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 74.4 110.863 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.08 -37.2 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 14.2 m-85 -60.64 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.38 -40.64 85.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 62.3 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.55 -44.91 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.63 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.4 111.073 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 t -66.26 -35.95 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.3 111.067 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.42 -47.86 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -72.6 -38.24 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.91 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.21 -55.04 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.65 -31.18 70.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 46.3 t60 -60.54 -38.47 84.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.03 -34.17 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.3 111.136 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.42 -36.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.1 111.172 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -45.85 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.485 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.1 m-85 -71.37 -73.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -168.09 96.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.07 -171.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 64.1 111.109 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -93.96 -31.32 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.38 170.93 40.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 53.2 112.512 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.01 -52.18 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 73.4 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -61.22 -31.61 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.925 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.73 -40.67 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.3 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -60.41 -49.57 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -60.33 -33.01 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -65.77 -42.6 90.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 64.1 110.895 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.5 mt -72.31 -34.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.3 111.037 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -59.68 -49.11 79.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.867 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.03 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.064 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -76.12 -43.22 44.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.912 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.28 -30.92 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 65.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -82.66 -31.57 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.842 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.33 -48.35 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.4 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.43 -37.67 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.27 -44.44 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.1 110.948 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.95 -37.07 85.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.2 110.921 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -68.02 -43.75 78.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.1 -31.18 58.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.92 -47.21 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.1 110.901 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -73.81 -37.14 65.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.35 -51.99 67.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.922 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -67.85 -27.67 66.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.619 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.45 -57.2 12.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.1 111.142 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 6.2 p90 -67.28 -36.24 81.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.165 -0.471 . . . . 73.3 110.728 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.6 mt -62.75 -40.92 98.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.254 -0.43 . . . . 61.4 110.945 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -75.96 -32.22 59.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.919 -0.582 . . . . 73.5 110.976 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.239 0.501 0 CA-C-N 115.851 -0.613 . . . . 74.3 110.679 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 75.4 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.95 -43.67 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -59.46 -38.99 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 63.1 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -73.93 -31.64 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.41 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 43.5 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.6 -32.36 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.1 111.111 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.57 -44.75 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.34 -45.7 90.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.895 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.74 91.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 73.1 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 m -60.3 -43.43 96.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 62.3 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -73.67 -31.61 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.44 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.2 111.148 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.88 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.3 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.06 -32.01 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.673 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.24 -52.46 33.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.421 -0.354 . . . . 75.2 110.91 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.71 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.27 -32.08 70.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.163 0.506 . . . . 73.5 111.005 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.77 43.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 72.3 111.004 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.16 -28.71 0.58 Allowed Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.738 -0.744 . . . . 43.2 112.573 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -73.81 112.16 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 74.5 110.927 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.95 -41.62 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.939 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -56.84 16.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.764 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.87 -34.6 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.23 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.35 -52.31 65.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.915 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.78 -33.8 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 64.3 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.29 -39.83 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -60.31 -46.92 88.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.897 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -61.24 -39.33 89.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -60.89 -46.76 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.845 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.91 -42.52 94.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 64.2 111.115 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.15 -32.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 62.5 111.082 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -67.84 -48.56 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -73.3 -37.03 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.915 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.6 m-85 -60.38 -46.89 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.914 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.72 -31.65 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.496 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 70.3 t60 -60.49 -36.46 78.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.3 110.871 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.98 -44.8 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 t -65.53 -36.17 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 72.2 111.085 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -74.72 -37.62 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.5 110.904 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.9 m-85 -80.91 -67.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.2 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -171.96 99.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.922 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.77 -176.28 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 -161.64 21.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 74.3 112.504 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.43 -56.93 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 62.5 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -60.36 -31.6 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.67 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.091 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -60.24 -43.37 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.864 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.58 -32.99 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.1 110.932 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -40.09 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.4 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mt -73.91 -33.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 73.2 111.128 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -60.26 -45.73 92.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.11 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.059 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -73.96 -43.38 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.914 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 -31.36 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -84.58 -31.6 24.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.919 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.04 -48.13 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.2 110.922 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.0 -42.98 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.894 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.32 -31.92 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 70.5 110.92 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.49 -50.13 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -64.73 -50.77 65.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.2 81.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 62.4 111.097 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.58 -48.57 81.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.949 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -35.03 68.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.189 -0.459 . . . . 65.3 111.125 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.33 -52.06 67.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 54.4 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -67.73 -27.73 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.693 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -57.09 12.79 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.859 0.362 . . . . 75.2 111.103 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.2 p90 -67.22 -36.07 80.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 71.2 111.024 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 70.4 mt -62.89 -32.68 73.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.308 -0.406 . . . . 73.3 110.919 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -86.22 -31.44 21.71 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 115.806 -0.634 . . . . 75.4 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.9 -0.591 . . . . 74.5 110.67 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 74.3 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -72.95 -37.89 66.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -74.8 -39.76 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.1 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.19 86.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.12 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.52 -36.33 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 72.1 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.98 -38.5 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.1 110.921 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.35 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.1 111.139 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -74.19 -48.14 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.1 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -65.24 -45.32 85.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.063 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -59.94 -47.25 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 72.3 111.102 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.07 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.074 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -79.11 -32.39 44.56 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.168 -0.469 . . . . 62.4 111.068 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.17 -52.64 46.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 65.4 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.94 -45.08 96.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -65.48 -31.97 73.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.787 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.85 46.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.159 0.504 . . . . 61.2 111.292 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.79 -30.63 0.4 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.387 -0.911 . . . . 52.3 112.283 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -73.99 113.81 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.673 -0.31 . . . . 74.3 111.22 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -101.42 -41.37 6.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.819 0.342 . . . . 74.5 110.941 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -61.68 -52.91 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.235 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -40.54 95.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.404 -0.362 . . . . 53.5 110.92 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.18 83.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.105 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.34 -48.74 80.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 62.5 110.865 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.07 -33.02 73.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 52.3 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -74.88 -39.35 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 18.6 m-85 -60.37 -35.57 76.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.859 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -71.05 -44.86 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -60.32 -41.8 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 64.4 110.894 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -44.12 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 55.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 t -68.3 -33.67 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.076 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.74 -47.21 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.887 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -70.43 -37.56 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.2 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -63.39 -55.06 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.29 -31.94 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.931 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.7 t60 -62.63 -35.4 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.5 110.934 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 t -75.36 -46.3 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.026 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.53 -36.18 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 64.2 111.087 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -72.08 -44.87 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -73.41 -69.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -169.22 94.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 62.4 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 178.46 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 52.5 111.131 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.76 -67.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.926 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.7 -176.61 16.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 72.2 112.466 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.9 -51.3 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 75.1 110.877 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.61 -31.57 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.3 110.885 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.66 89.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.098 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -60.47 -47.94 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.94 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -36.86 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.864 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -65.07 -45.59 84.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.932 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -69.22 -33.97 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 75.2 111.057 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -58.82 -40.22 83.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.32 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.1 111.043 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -75.16 -42.73 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.4 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -81.77 -31.5 31.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.4 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -71.43 -48.03 52.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 71.2 110.897 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -68.09 -37.61 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.927 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.29 -41.73 93.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.06 -41.07 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.931 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -68.0 -39.15 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 65.4 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.85 -34.13 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.29 -45.62 92.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -71.29 -38.32 71.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 72.2 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.8 -51.87 68.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 71.4 110.824 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -28.2 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.4 110.901 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -53.85 -57.15 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.031 -0.532 . . . . 74.5 111.329 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.8 p90 -67.94 -34.56 76.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.0 0.428 . . . . 74.2 110.681 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 68.2 mt -65.7 -34.96 79.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 73.5 110.929 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -78.63 -33.62 47.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.871 -0.604 . . . . 71.3 111.175 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.966 -0.561 . . . . 64.3 111.048 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 74.3 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.5 -47.49 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 65.2 110.95 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.29 -33.49 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.936 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -69.83 -31.66 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.9 -40.16 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.4 111.09 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.19 -41.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 72.1 111.081 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -46.68 89.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 36' ' ' LEU . 6.1 mt -71.14 -33.48 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.65 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.1 111.107 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.01 -45.82 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.1 110.937 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -65.82 -37.99 87.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -46.13 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 72.3 111.12 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.32 -34.65 36.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.776 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -64.86 -47.74 76.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.29 -0.414 . . . . 65.4 110.907 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.51 -43.69 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.95 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -68.48 -32.07 71.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.709 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.19 -44.67 45.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.613 -0.267 . . . . 61.2 110.991 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.3 -33.21 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.365 -0.921 . . . . 52.3 112.047 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -74.06 118.67 17.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.73 0.3 . . . . 74.3 110.839 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -105.66 -36.51 7.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 74.5 111.092 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.24 -53.73 54.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.806 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.29 -33.72 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 53.5 110.737 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.03 -37.07 75.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.5 111.108 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.44 -52.38 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.903 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.6 -31.7 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 52.3 110.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 17' ' ' LEU . 21.8 mt -73.99 -37.71 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 63.3 110.915 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.4 -43.53 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 72.3 110.899 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.81 -38.5 86.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -61.18 -45.11 95.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 64.4 110.892 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.44 -40.16 85.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 55.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.94 -32.07 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.2 111.069 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -43.35 87.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -75.32 -38.57 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.1 m-85 -60.25 -51.29 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.857 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.35 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.1 t60 -60.78 -37.29 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.54 -48.85 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.129 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.96 -37.28 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 64.2 111.11 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -73.93 -46.58 43.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.5 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.9 m-85 -71.74 -73.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 75.3 110.914 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -159.22 96.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 62.4 110.93 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -69.79 -177.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 52.5 111.131 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -81.8 -44.3 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 75.1 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.98 -176.46 39.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 72.2 112.471 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -60.16 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 75.1 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -60.25 -31.63 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.905 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.37 -44.58 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.09 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -60.18 -43.01 96.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.939 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.905 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -39.72 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.4 mt -72.54 -34.03 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.2 111.119 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -60.32 -44.29 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 74.2 110.857 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.38 -35.46 75.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.1 111.072 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -74.57 -42.76 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.85 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.17 -31.51 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 50.4 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -82.83 -31.59 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 62.4 110.941 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -50.72 65.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -69.61 -38.93 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.36 -39.97 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.73 -40.86 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -69.51 -51.15 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 65.4 110.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.15 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 74.2 111.096 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -72.16 -37.66 69.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.993 -0.548 . . . . 72.2 110.97 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -52.04 67.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.956 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -65.66 -27.94 68.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 73.4 110.916 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.99 -55.56 31.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.049 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -74.83 -36.87 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 74.2 110.771 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 21.3 mt -60.15 -36.63 77.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 73.5 111.066 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -32.66 38.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.81 -0.632 . . . . 71.3 111.086 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.501 -0.318 . . . . 64.3 110.797 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.8 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.801 0.334 . . . . 75.4 110.844 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.25 -44.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.41 -31.61 70.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -73.62 -35.02 65.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.929 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.35 -36.5 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.4 111.112 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.8 -42.19 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.4 111.159 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.17 -33.52 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.1 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.095 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.5 m -60.41 -48.11 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -60.45 -40.91 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -59.96 -48.24 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 64.3 111.123 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.89 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 71.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -34.26 47.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.143 -0.48 . . . . 55.3 111.157 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -64.25 -51.27 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.493 . . . . 63.4 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.36 -50.98 71.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 72.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -61.58 -32.18 72.27 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.888 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.82 62.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 72.5 111.049 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.73 -28.43 2.53 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.706 -0.759 . . . . 50.1 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.02 107.82 7.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 64.4 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -95.2 -40.76 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 70.4 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -54.53 45.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.3 111.053 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -39.98 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.7 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.48 -36.22 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.4 111.092 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.29 -50.49 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 64.5 110.857 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.97 -31.65 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.1 110.938 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.23 -39.57 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 72.4 110.893 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 19.8 m-85 -60.31 -42.67 96.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.41 -40.87 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 72.2 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -60.69 -44.36 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.4 110.9 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.83 -41.85 92.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.8 -34.84 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 53.2 111.076 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.26 -49.04 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -70.42 -38.55 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 75.3 110.951 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 5.1 m-85 -60.33 -56.96 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.919 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.33 -31.58 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 51.5 t60 -60.36 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.74 -42.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.1 111.169 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.44 -42.57 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.135 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -38.35 77.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.914 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.9 m-85 -81.14 -68.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.946 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -168.16 101.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.92 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.77 -176.16 3.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 54.1 111.09 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -78.03 -53.71 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 54.2 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.57 -173.86 34.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 50.3 112.499 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -54.91 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 75.2 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -60.37 -34.07 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.5 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.18 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 71.3 111.083 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -60.3 -44.87 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.3 110.93 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -60.38 -32.94 71.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.911 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.2 t -67.97 -44.2 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.939 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 29.8 mt -72.57 -33.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.09 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -60.41 -43.76 96.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.31 -36.28 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 73.0 111.138 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -74.4 -42.74 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.14 -31.15 69.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.2 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -83.43 -31.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.94 -47.72 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.05 -41.33 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.4 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.32 -36.25 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.1 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.73 -37.83 64.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -72.28 -34.29 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.65 -34.01 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.115 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.1 -44.96 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -37.14 64.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 73.1 110.722 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.16 -52.3 66.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.859 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -67.69 -27.97 67.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.035 -0.529 . . . . 74.3 110.925 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.01 -57.15 12.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 75.4 111.241 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.447 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.6 p90 -67.51 -36.15 80.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 74.3 110.836 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 66.0 mt -63.2 -35.34 79.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.083 -0.508 . . . . 71.3 111.031 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -80.02 -31.19 39.64 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.0 -0.545 . . . . 71.3 110.955 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.32 . . . . 74.2 110.668 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 72.1 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.3 -49.42 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.3 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -60.31 -31.56 70.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -73.46 -31.59 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.923 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -73.33 -36.54 66.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.73 -41.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.24 -46.2 91.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.941 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.25 -34.39 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.905 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.49 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 73.3 111.119 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -41.4 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.4 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -32.39 72.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 65.5 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -47.53 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.086 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -33.92 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.3 111.128 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.11 -31.7 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.4 111.035 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.63 -50.03 54.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 74.3 110.876 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.61 -38.07 86.21 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.722 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.71 -43.43 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.2 111.02 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.69 -31.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.762 -0.732 . . . . 52.3 112.446 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -69.62 115.62 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 63.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -103.05 -39.48 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.2 110.934 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.23 -47.32 86.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.182 -0.463 . . . . 64.1 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.35 -34.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 70.3 110.605 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.77 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 54.1 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.3 -55.22 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 72.2 110.926 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.29 -31.62 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.936 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.5 mt -73.12 -38.86 66.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.922 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -60.32 -37.76 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.887 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.77 -39.85 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 73.1 110.901 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -60.96 -43.94 98.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.926 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -45.54 92.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.3 111.096 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -64.51 -35.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 53.4 111.102 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.864 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -71.94 -37.19 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.861 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.35 -55.88 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 72.1 110.854 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.1 mt -60.47 -31.56 70.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.4 110.9 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 35.2 t60 -61.29 -35.8 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.928 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.63 -52.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 64.3 111.103 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.94 -36.13 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 74.2 111.101 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -74.25 -39.47 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.7 m-85 -80.93 -73.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.2 110.913 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.2 97.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.45 -176.12 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.3 111.095 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.29 -49.57 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.5 -171.22 36.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 64.3 112.505 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -60.37 -53.23 60.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 74.2 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -60.36 -31.54 70.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.22 -45.43 48.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 63.5 111.054 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -60.31 -51.34 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.2 110.898 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -60.35 -32.96 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 65.4 110.895 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -65.87 -45.45 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.4 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.33 -34.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.043 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -59.52 -49.54 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.52 -31.18 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 53.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -75.8 -43.22 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.16 -31.0 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.927 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -82.94 -31.57 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.917 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -71.15 -48.16 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.3 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -66.65 -42.89 85.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 mt -60.44 -34.51 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.894 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.09 -42.55 89.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -74.46 -35.56 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.934 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.67 -37.33 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 60.0 111.057 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.3 -47.09 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.898 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -71.37 -34.65 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 54.3 110.748 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.42 -52.1 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.4 -0.364 . . . . 74.3 110.823 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -67.58 -27.96 67.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.922 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -53.52 56.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.427 . . . . 74.4 110.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.436 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -76.16 -36.98 58.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 75.3 110.752 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.0 mt -59.67 -43.47 93.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 73.4 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 73.5 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 73.1 111.147 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.849 0.357 . . . . 73.3 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -73.89 -36.68 64.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.37 -45.18 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -33.91 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.957 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.33 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.4 111.089 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.77 -31.23 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 75.3 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.26 -44.84 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.898 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 mt -68.4 -41.06 81.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.5 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 70.1 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -63.32 -39.2 93.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 44.3 110.912 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -73.27 -33.78 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 70.3 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -67.77 -49.75 60.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.14 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 70.1 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.85 -31.44 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.5 111.156 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.49 -52.71 29.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.889 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' CD1' ' A' ' 30' ' ' TYR . 11.8 t70 -63.38 -40.57 97.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 63.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.68 -32.27 73.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.032 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.61 -30.86 52.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.945 -0.57 . . . . 63.5 111.116 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.25 -28.56 1.95 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 54.5 112.745 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.78 105.09 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.4 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.403 ' CD1' ' OD1' ' A' ' 25' ' ' ASP . 3.3 m-85 -95.31 -41.14 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.2 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.41 -58.14 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 70.5 110.819 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.6 -33.86 73.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.788 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.415 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -70.8 -36.14 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.3 111.158 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.4 -49.79 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 63.5 110.914 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.29 -33.08 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.84 -38.16 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.901 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 16.2 m-85 -60.37 -38.19 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.4 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.907 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -60.35 -45.42 93.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 64.5 110.872 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.5 94.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.064 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.1 t -66.0 -33.4 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.095 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -72.29 -37.67 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.886 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.28 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.912 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.38 -31.81 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.458 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 31.8 t60 -62.91 -39.15 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.899 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -73.39 -43.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.1 111.043 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.33 -36.99 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 51.4 111.119 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -31.73 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 3.8 m-85 -87.11 -71.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.883 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.86 95.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.934 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.9 -176.21 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 65.1 111.129 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -74.34 -49.45 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.5 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.6 -172.26 36.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 65.1 112.572 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.53 -54.05 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 75.4 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.3 -35.19 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 52.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.53 83.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.086 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -60.14 -43.6 95.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 65.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -60.32 -32.99 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 54.3 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -39.93 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 60.2 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 39.2 mt -74.0 -34.04 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.3 111.075 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -60.29 -46.94 88.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.39 -34.53 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -74.23 -43.14 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.969 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 16.9 m -60.07 -31.12 69.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.934 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -83.96 -31.53 25.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 62.1 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.41 -47.97 65.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 61.4 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.57 -41.51 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.35 -38.77 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.2 110.902 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.68 -41.06 75.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.923 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -70.49 -48.16 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.67 -35.68 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.094 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.97 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -68.62 -36.5 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.5 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.435 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 3.6 mp -62.91 -52.07 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.4 110.806 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -64.66 -27.73 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.744 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.96 -52.33 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.729 0.299 . . . . 73.4 110.85 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 3.0 p90 -83.11 -37.19 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.261 0.553 . . . . 74.3 111.19 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -59.85 -32.67 70.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.805 -0.634 . . . . 75.4 110.964 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -84.53 -37.54 21.13 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.857 0.36 . . . . 72.1 110.778 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.732 0.301 . . . . 75.2 110.668 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.761 0.315 . . . . 73.5 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -68.68 -45.61 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.886 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -74.37 -31.66 62.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.2 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.22 -35.07 71.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 70.3 111.1 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.75 -37.6 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 55.3 111.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.57 -45.18 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.3 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mt -73.99 -36.9 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 74.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.4 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -66.55 -42.59 86.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.3 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -68.64 -35.61 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 73.4 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.19 -47.93 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.1 111.096 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.62 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.5 111.091 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -76.23 -31.62 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -52.68 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.896 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -61.8 -44.95 95.85 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.961 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -68.34 -31.53 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.71 -42.07 59.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.488 -0.323 . . . . 74.1 110.856 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.97 -30.43 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.594 -0.812 . . . . 72.4 112.761 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -73.52 120.86 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 64.5 110.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -105.6 -40.93 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 74.1 110.974 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 73.3 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.17 -39.99 94.52 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.337 -0.392 . . . . 74.4 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.57 -37.08 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 40.1 111.094 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.3 -49.38 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -66.57 -31.91 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 71.5 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 33.6 mt -74.49 -40.77 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -60.5 -39.29 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.914 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.32 -42.41 83.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.4 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 10.3 m170 -61.12 -43.92 98.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 75.5 110.923 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.28 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 62.1 111.125 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.9 t -66.44 -33.65 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.079 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -65.58 -49.55 68.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.4 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 67.8 m-85 -69.03 -37.93 78.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.909 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.419 ' CD1' HG22 ' A' ' 61' ' ' ILE . 5.0 m-85 -62.25 -56.75 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.4 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.54 -31.85 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 61.3 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -61.71 -35.38 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 t -78.83 -42.83 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 60.2 111.093 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -39.43 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.073 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -32.56 66.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -86.56 -68.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -167.28 96.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 70.2 110.923 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.53 -169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 71.3 111.063 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.11 -40.13 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.4 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -171.79 -178.03 41.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 60.2 112.473 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.63 -49.87 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.792 0.33 . . . . 65.3 110.92 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -69.04 -32.32 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.4 110.915 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.18 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.4 111.106 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -60.48 -45.29 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -32.98 71.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.907 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -67.18 -42.01 84.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.3 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' CD1' ' A' ' 44' ' ' PHE . 32.9 mt -72.82 -34.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.091 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -60.21 -44.85 94.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.1 -35.4 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 55.1 111.134 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.25 -42.61 59.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.902 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -60.27 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 72.5 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -83.38 -31.69 26.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.881 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -71.56 -48.31 49.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.45 -41.01 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.39 -36.29 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.52 -43.43 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -67.07 -51.16 57.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.1 110.902 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.89 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 62.2 111.077 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.6 -36.62 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.891 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -72.73 -44.38 61.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 70.2 110.479 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 9.1 mp -58.64 -51.71 68.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 64.3 110.829 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.1 pttt -62.87 -27.94 69.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.5 110.758 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -57.63 -55.23 37.55 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 4.7 p90 -78.23 -33.22 49.93 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.367 -0.379 . . . . 70.3 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 51.3 mt -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 73.4 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -83.54 -33.24 25.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.878 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 74.2 111.092 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 74.5 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.67 -36.24 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.913 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.37 -39.92 88.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 75.3 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -72.7 -34.9 67.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 62.1 110.862 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.68 80.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 64.4 111.136 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.76 -31.24 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.4 111.157 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.15 -44.58 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.898 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.12 -47.51 82.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 71.4 111.153 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -42.53 96.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -71.44 -37.79 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -63.44 -47.05 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 75.3 111.074 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.76 -31.93 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.34 -52.71 24.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.35 -0.386 . . . . 74.5 110.95 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.35 -49.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.858 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.0 -31.97 70.42 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 116.222 -0.445 . . . . 61.4 110.79 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -39.5 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.499 -0.319 . . . . 75.0 110.8 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.55 -29.23 0.85 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 75.4 112.344 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -72.3 106.7 4.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.625 0.25 . . . . 74.1 111.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -96.13 -40.85 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 73.2 111.272 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.53 -54.14 49.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 74.0 110.666 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.25 -43.28 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 73.4 111.03 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.28 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.06 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.3 -52.9 63.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 73.4 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.96 -32.13 71.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.3 -39.32 65.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 75.4 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 19.1 m-85 -60.51 -40.75 92.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.3 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -65.74 -43.69 88.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.1 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 7.4 m170 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.941 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.79 -46.76 88.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.3 111.095 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 t -64.57 -37.03 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.3 111.082 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.57 -47.63 80.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.1 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 55.6 m-85 -73.38 -38.17 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD1' HG23 ' A' ' 61' ' ' ILE . 4.7 m-85 -60.28 -53.5 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.17 -31.39 71.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.92 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.456 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 54.7 t60 -60.16 -38.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.25 -50.15 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.1 111.13 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.27 -36.15 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.1 111.106 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -40.03 56.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.0 m-85 -78.11 -73.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.898 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -161.85 98.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.1 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.23 -169.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 75.3 111.12 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -91.46 -41.87 10.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.94 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.05 -179.88 41.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 71.2 112.491 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -60.28 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 75.3 110.916 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -67.9 -31.51 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 42.2 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.3 111.139 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.908 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -60.12 -32.99 71.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.4 110.921 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 t -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG23 ' CD1' ' A' ' 44' ' ' PHE . 30.6 mt -72.21 -33.95 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -60.29 -42.72 96.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.15 -36.39 74.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.111 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 26.7 mtmt -75.03 -40.87 60.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 75.5 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.85 -31.17 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.957 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -82.38 -31.62 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.913 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.65 -48.46 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 24.4 m-85 -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -36.54 78.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.05 -41.87 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -72.74 -49.79 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 72.3 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.57 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.089 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 -45.95 90.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 54.3 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.61 -38.01 62.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.002 -0.545 . . . . 63.2 110.659 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.0 -52.1 66.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.387 -0.37 . . . . 65.2 110.939 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -67.83 -27.86 67.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.151 -0.477 . . . . 63.2 110.896 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.67 -56.73 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 73.2 111.209 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.1 p90 -67.41 -36.4 81.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.536 -0.302 . . . . 73.1 110.757 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.9 mt -63.0 -36.54 83.87 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.035 -0.529 . . . . 71.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -82.03 -31.49 30.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.725 0.297 . . . . 72.3 110.92 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 62.1 110.892 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 74.2 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.14 -41.93 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 71.3 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -31.55 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.912 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.31 -31.57 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.03 87.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 54.3 111.107 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.33 -38.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 64.5 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.49 -44.97 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mt -73.29 -39.19 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.879 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.72 98.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 72.2 111.085 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -63.37 -41.97 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.2 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -68.93 -40.65 78.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 75.2 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -61.82 -45.83 92.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.121 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.42 73.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 75.3 111.091 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -36.4 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 72.4 110.937 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.39 -46.04 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.316 -0.402 . . . . 72.1 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -64.67 -51.04 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.878 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 64.5 110.792 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -41.06 64.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 73.1 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.63 -29.05 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.701 -0.762 . . . . 64.1 112.584 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -73.6 116.38 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.61 -0.347 . . . . 60.4 110.932 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.01 -41.83 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.93 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.5 -52.72 63.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.57 -43.28 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.3 111.058 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.24 81.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 54.2 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.4 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.2 110.91 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.35 -33.3 75.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.93 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 mt -72.57 -37.27 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 14.9 m-85 -60.34 -47.05 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 62.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -62.48 -40.1 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.912 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.78 -43.13 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.938 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.37 -41.3 89.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.093 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.74 -37.3 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.3 111.089 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -60.22 -47.98 83.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -72.44 -38.5 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.917 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.37 -52.6 64.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.2 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -34.44 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.873 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.56 -38.99 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.863 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 t -62.11 -52.57 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 52.1 111.063 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.03 -36.04 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 71.3 111.123 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.75 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -104.29 -61.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.3 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.61 105.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 65.2 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.97 -169.84 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.3 111.097 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -61.84 -42.15 98.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.1 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.17 -150.43 7.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.739 . . . . 75.1 112.505 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -81.24 -56.19 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 72.2 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -60.1 -33.67 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.913 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.99 97.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.5 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.0 mttt -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 75.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.11 -33.02 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -69.97 -37.0 75.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.917 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.8 mt -73.89 -33.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.2 111.062 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -60.8 -48.04 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.28 -32.27 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.066 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -76.16 -43.01 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.896 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 m -60.15 -30.9 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 65.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.3 t -82.41 -31.53 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.3 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.2 -47.65 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -69.15 -41.34 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.925 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.34 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.1 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.88 -37.32 84.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.39 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 54.2 111.062 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.86 -43.25 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.33 -37.74 63.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.947 -0.57 . . . . 75.2 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.04 -52.45 65.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.221 0.534 . . . . 62.3 110.875 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -67.62 -28.12 67.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 73.1 110.867 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.99 -56.98 12.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.094 -0.503 . . . . 54.3 111.263 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.82 -36.13 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 70.1 110.626 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 72.0 mt -62.9 -34.96 78.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.5 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -81.52 -31.7 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 73.1 111.105 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 74.4 110.965 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 61.1 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.9 -46.08 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -32.9 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 73.3 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -73.2 -32.47 64.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.92 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.72 -36.58 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.3 111.118 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.81 -36.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.4 111.108 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -44.8 96.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 53.3 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.61 -37.14 70.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.1 110.883 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.74 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -67.28 -43.4 81.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 72.3 110.899 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -69.24 -40.93 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.91 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 72.5 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.6 82.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.2 -0.454 . . . . 75.4 111.038 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.33 -52.68 63.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.16 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -61.89 -35.64 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.19 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 70.0 111.32 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.91 34.8 0.94 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.625 -0.798 . . . . 43.4 112.461 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -131.32 93.25 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 70.2 110.839 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.34 -31.31 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.897 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -67.14 -55.19 15.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.27 -42.4 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.877 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.2 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 65.6 tp -60.03 -51.76 68.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 70.1 110.856 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.08 -30.97 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.29 -40.16 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 60.4 110.908 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 12.9 m-85 -59.45 -39.22 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.56 -39.05 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -60.59 -46.21 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.865 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.64 -42.45 92.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 62.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.8 t -65.37 -35.75 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.4 111.088 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.83 -49.31 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.75 -35.76 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.934 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 6.0 m-85 -63.45 -54.17 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 73.2 110.925 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.67 -31.59 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 63.3 110.865 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 42.3 t60 -60.28 -40.95 92.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 70.1 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.58 -34.21 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.4 111.106 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.56 -36.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.3 111.133 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -40.85 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.885 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.6 m-85 -78.98 -72.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -166.36 98.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.63 -169.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.4 111.104 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.04 -54.8 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 62.5 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -159.01 -176.52 31.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 63.1 112.542 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -60.36 -49.21 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 62.5 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -36.56 83.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.924 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.39 99.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.5 111.092 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -60.31 -43.89 95.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.922 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.37 -32.98 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 62.2 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.2 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.4 mt -69.95 -33.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.5 111.057 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -62.22 -41.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.62 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 53.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -83.01 -38.32 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 75.5 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.92 -30.98 72.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 64.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 t -86.4 -29.73 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.28 -47.38 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 72.1 110.824 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -73.98 -40.45 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 73.2 110.936 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.892 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.81 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 74.2 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 mtp85 -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 74.2 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.84 -35.42 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.102 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.13 -40.8 91.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 65.1 110.903 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -72.77 -37.79 67.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 75.2 110.618 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 mp -59.43 -52.06 67.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 74.4 110.849 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -65.57 -28.04 68.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.64 -54.42 46.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.262 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -76.86 -37.71 55.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.353 -0.385 . . . . 73.2 110.922 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.454 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 23.0 mt -59.0 -30.28 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 71.1 111.028 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -87.28 -31.21 20.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 75.3 110.867 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 65.2 110.88 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.333 . . . . 75.3 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -74.33 -38.64 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -38.03 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.2 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.45 -35.53 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 75.3 110.871 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.19 84.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 73.1 111.155 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.79 -31.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.2 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.59 -46.76 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 73.1 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.93 -40.5 95.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.881 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.85 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.2 111.101 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.94 -31.7 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.5 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -68.52 -48.3 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.89 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.18 -35.12 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.937 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.4 -48.27 76.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.795 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.26 -44.72 87.19 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -62.44 -31.94 72.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.142 -0.481 . . . . 65.4 110.959 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.43 -44.11 53.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 70.3 111.326 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.67 -30.87 0.62 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.805 -0.712 . . . . 70.3 112.489 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -71.17 118.64 14.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.565 0.222 . . . . 64.2 111.37 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -106.57 -35.95 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 73.4 110.905 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.02 -53.66 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.5 110.838 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.16 -32.83 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 71.4 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -69.35 -39.7 77.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 72.1 111.102 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.3 -52.25 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 62.3 110.91 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.53 -31.67 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.2 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.65 -40.99 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.882 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 22.8 m-85 -60.32 -38.34 83.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.943 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -69.09 -41.55 77.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.4 110.92 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 6.5 m170 -60.78 -44.25 97.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.81 -47.06 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 71.2 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 t -64.31 -33.1 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 55.2 111.111 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.8 -49.97 68.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 66.1 m-85 -72.08 -36.26 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.1 110.869 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 5.6 m-85 -61.24 -56.16 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.89 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.34 -31.62 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 40.3 t60 -60.61 -37.8 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 75.3 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.08 -40.2 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.4 111.139 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.92 -39.62 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.125 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -71.76 -54.87 8.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 54.4 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 9.0 m-85 -60.32 -73.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.06 91.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 71.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.13 -176.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.069 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -84.9 -45.72 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.897 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -179.84 41.2 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 43.2 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.28 -53.0 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 74.3 110.932 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -60.36 -32.78 71.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.4 110.883 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.65 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -60.11 -48.41 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.4 110.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -60.18 -32.98 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 55.1 110.938 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -47.57 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.911 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.479 HD12 HG22 ' A' ' 61' ' ' ILE . 32.1 mt -71.29 -33.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.3 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -60.0 -41.41 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.85 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.09 -36.42 72.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.138 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -76.3 -37.27 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.2 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -64.9 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 61.4 110.897 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -80.53 -31.57 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 74.2 110.902 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.59 -47.93 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.4 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.8 -39.75 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.3 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.57 -43.24 97.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.3 110.868 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.24 -47.85 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -69.28 -48.75 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 55.5 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.34 -45.39 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 72.2 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -72.38 -37.36 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.898 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.804 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -65.94 -28.09 68.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 75.1 110.86 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.11 -54.81 40.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.231 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.441 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -74.73 -36.76 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 75.3 111.194 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 22.9 mt -59.71 -35.49 74.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.867 -0.606 . . . . 72.1 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.91 -31.56 22.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.496 . . . . 61.1 111.024 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.852 0.358 . . . . 74.3 110.876 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 73.3 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.8 tp -72.21 -45.17 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 70.1 110.883 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -60.33 -31.6 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 75.3 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -31.63 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.81 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.3 111.114 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.56 -38.88 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 73.1 111.114 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.14 -45.67 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 mt -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 65.1 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.51 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.097 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -61.23 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 54.1 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.43 -37.38 87.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.865 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -65.33 -47.61 75.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 62.4 111.083 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 60.4 111.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -83.0 -31.99 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.635 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.06 -43.38 74.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.462 -0.336 . . . . 71.1 110.904 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.96 -45.91 66.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.929 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -60.14 -31.86 70.48 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.721 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.72 -32.51 57.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.572 -0.285 . . . . 71.1 111.154 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.93 -28.57 2.13 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.604 -0.808 . . . . 52.0 112.805 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.04 109.91 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 54.5 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.6 -33.66 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.924 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.71 -53.23 35.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.93 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -45.13 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 73.4 110.778 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -60.23 -36.19 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 60.1 111.094 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.31 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 65.4 110.89 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -32.08 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.2 mt -76.45 -37.97 56.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.9 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 14.8 m-85 -60.5 -43.22 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.3 110.897 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.26 -43.91 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -60.44 -42.49 96.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.2 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.23 93.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.141 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.9 t -66.84 -38.37 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 63.2 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.77 -49.51 77.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -70.08 -39.78 75.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.914 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.13 -55.52 32.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 73.5 110.897 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.07 -32.91 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.98 -42.92 99.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -61.26 -53.25 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.183 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.14 -36.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.09 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -32.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.38 -66.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 74.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -158.5 96.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.11 -169.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 73.1 111.081 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -90.75 -33.68 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.38 -177.57 46.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.2 112.511 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.98 -55.72 30.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.2 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -60.23 -30.97 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -59.66 -53.39 58.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -33.01 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -66.35 -48.01 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.869 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.44 -33.89 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.087 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -59.05 -46.65 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.85 -31.87 71.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.2 111.05 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -76.72 -41.21 46.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.92 -30.76 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.3 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.71 -31.34 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 72.4 110.92 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.62 -47.63 46.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.29 -43.24 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 75.5 110.887 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.4 mt -60.26 -38.73 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 54.4 110.939 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.22 -46.54 89.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.935 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -70.58 -50.59 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 72.4 110.878 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -74.97 -32.45 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 74.5 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.408 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -61.01 -51.83 67.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 62.3 110.845 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -69.44 -27.86 65.61 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.129 -0.487 . . . . 63.4 110.963 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.69 -54.44 41.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 74.1 111.044 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.3 p90 -70.49 -33.65 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 72.5 110.915 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.458 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 58.9 mt -67.39 -35.09 78.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.41 -0.359 . . . . 73.5 110.869 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -42.34 31.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.757 -0.656 . . . . 65.1 110.993 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 74.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.03 -38.48 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -60.18 -41.52 93.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.02 -34.82 69.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.926 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.31 84.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.12 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.99 -31.11 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.45 -50.1 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 60.2 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.3 110.926 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.2 111.089 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -61.44 -38.62 87.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -69.94 -44.9 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.5 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -62.7 -48.98 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.31 75.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 64.4 111.096 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.92 -31.49 31.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.104 0.478 . . . . 73.4 111.186 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.88 -46.6 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 73.4 110.849 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.24 -47.03 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -32.19 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 75.1 110.986 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.26 34.3 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.898 -0.592 . . . . 72.4 110.867 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.78 -29.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.901 -0.666 . . . . 54.3 112.624 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -73.22 112.21 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 63.3 110.888 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.87 -38.06 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.881 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.37 -56.26 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.04 -33.73 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.2 110.895 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -69.6 -36.23 76.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 42.1 111.097 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.2 tp -60.2 -52.45 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -62.97 -31.52 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.958 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.0 mt -74.45 -38.44 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.864 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 15.7 m-85 -60.3 -44.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.74 -36.84 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.2 110.918 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 7.6 m170 -62.35 -44.44 96.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.1 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.04 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.4 111.12 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.0 t -63.18 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.077 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.03 -46.37 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 62.8 m-85 -71.89 -30.81 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -71.18 -50.47 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.88 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.19 -31.36 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.415 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 62.9 t60 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.929 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.0 t -76.09 -43.25 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.2 111.044 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 29.3 t -62.82 -36.11 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 70.1 111.096 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -77.88 -45.36 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -67.56 -73.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.2 94.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -176.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 45.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -82.37 -49.61 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 52.3 110.895 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.87 -176.15 36.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 42.4 112.53 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.55 -49.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 61.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.27 -31.58 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.939 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.23 -44.5 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.3 111.084 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -59.8 -48.44 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.894 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.89 -33.09 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 64.1 110.934 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -62.97 -38.97 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 73.1 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.44 HG23 HD12 ' A' ' 61' ' ' ILE . 35.0 mt -69.75 -34.02 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.1 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -59.21 -46.19 89.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.903 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.66 -36.11 81.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 31.4 mtmt -75.98 -37.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.4 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.6 -31.63 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 73.3 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.2 t -82.35 -31.32 29.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.902 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -72.38 -47.49 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 24.1 m-85 -69.22 -42.04 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 75.1 110.924 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.16 -50.3 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -61.13 -47.39 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -62.12 -46.45 88.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.872 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.92 -37.11 75.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.22 -41.89 94.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -43.25 77.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 53.2 111.252 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 2.4 mp -58.47 -52.11 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 74.2 110.839 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -61.64 -27.98 69.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.17 50.1 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.106 -0.497 . . . . 62.1 111.096 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.3 p90 -81.89 -37.08 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.875 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 19.4 mt -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 72.3 110.93 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -31.86 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.996 -0.547 . . . . 72.2 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.999 -0.546 . . . . 64.3 110.744 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.841 0.353 . . . . 72.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 tp -76.06 -37.83 57.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 62.2 110.977 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.38 -36.47 78.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -75.98 -35.56 59.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.5 110.889 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.52 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.094 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.51 -33.9 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.1 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.13 -50.0 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.4 mt -62.03 -37.9 86.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.909 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.24 94.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.094 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -68.88 -43.17 75.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -63.41 -41.79 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 54.1 110.906 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' CB ' ' CD1' ' A' ' 37' ' ' TYR . . . -59.95 -46.99 87.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.07 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 52.2 111.121 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -77.3 -32.27 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 52.2 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.25 -52.66 25.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -63.65 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.4 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -74.29 -28.47 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.935 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.49 23.6 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 70.2 111.342 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.48 -40.39 2.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 73.5 112.609 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -57.15 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.251 . . . . 74.4 111.3 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -89.88 -43.53 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 72.5 110.89 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.34 -54.79 41.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 64.2 111.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.73 -31.95 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 74.4 110.911 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . . . -70.66 -37.72 73.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 75.3 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.09 -44.39 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 75.2 110.91 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.82 -35.3 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mt -74.89 -39.31 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.89 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CD1' ' CB ' ' A' ' 21' ' ' ALA . 17.9 m-85 -60.51 -45.88 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.05 -38.56 91.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 8.1 m170 -60.28 -47.19 87.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.918 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -57.72 -45.21 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.158 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.9 t -63.5 -42.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.1 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -60.26 -45.2 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 57.0 m-85 -71.11 -31.71 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.879 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 8.5 m-85 -72.49 -49.85 30.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 60.3 110.861 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 65.0 t60 -69.88 -39.85 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 75.4 110.895 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 t -70.41 -54.26 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 61.3 111.113 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.84 -41.9 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 65.1 111.109 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HE3' ' CE1' ' A' ' 50' ' ' TYR . 13.3 ttpp -66.29 -36.77 83.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.7 m-85 -82.46 -69.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.5 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -169.37 92.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.866 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.64 -169.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.1 111.106 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -74.75 -46.76 35.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.42 -103.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 74.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -125.6 -59.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 75.1 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.87 -31.86 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.19 93.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.047 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -60.09 -41.11 91.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.911 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.18 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -66.98 -36.18 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.5 mt -71.97 -34.0 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.2 111.077 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -60.19 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 61.4 110.827 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.09 -33.76 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.2 111.083 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 52.1 mtmt -76.59 -39.39 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -30.33 68.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 75.3 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -84.08 -31.3 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 53.3 110.905 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.53 -47.54 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.903 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 16.4 m-85 -72.01 -38.3 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.954 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.42 -48.65 78.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.925 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.15 -39.05 88.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -73.86 -49.29 25.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.53 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.124 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.24 -39.3 86.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -42.24 63.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.14 -0.482 . . . . 71.3 110.642 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.14 -52.08 67.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 74.5 110.895 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -64.3 -27.93 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.853 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -56.77 17.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.162 -0.472 . . . . 73.1 111.083 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 3.7 p90 -73.1 -35.88 66.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.471 -0.331 . . . . 75.4 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 64.7 mt -63.6 -31.14 72.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.091 -0.504 . . . . 73.4 110.99 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -79.61 -42.67 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 70.2 110.95 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 72.2 110.73 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 73.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.64 -35.13 60.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 45.4 110.874 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -32.06 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.895 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -38.51 29.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.1 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.87 86.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.3 111.114 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.14 -35.55 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.1 111.16 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.12 -40.55 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 53.4 110.859 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.7 -36.52 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.906 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.27 91.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 54.4 111.076 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.15 -40.93 74.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.4 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.26 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 62.1 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -61.98 -50.48 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 53.3 111.052 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.66 73.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.4 111.126 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -78.95 -31.69 45.18 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.171 -0.468 . . . . 72.4 111.316 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.32 -50.41 53.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.4 110.948 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.51 -50.52 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.898 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -61.65 -31.43 71.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.81 69.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.201 0.525 . . . . 74.0 111.504 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.45 -31.66 2.02 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.566 -0.826 . . . . 53.0 112.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.34 116.9 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 71.5 111.056 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -102.24 -34.81 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.1 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -60.15 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 71.4 110.749 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.96 -35.52 78.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 61.2 110.929 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.28 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 62.2 111.103 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.28 -50.93 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.4 110.912 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.05 -31.57 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.1 mt -73.82 -41.65 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.912 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 25.9 m-85 -60.4 -34.36 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.91 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -72.62 -44.34 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -60.46 -43.93 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.89 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.04 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 73.3 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.7 t -66.25 -33.32 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.105 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -67.39 -47.12 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.1 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -73.28 -37.89 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.89 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.51 -56.19 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 75.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.97 -31.56 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 73.3 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 48.9 t60 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.1 110.882 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.09 -43.97 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.1 111.164 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 t -67.02 -36.11 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.048 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -42.87 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 8.3 m-85 -74.91 -73.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 95.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.48 -176.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.064 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.67 -36.03 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.903 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.54 -175.6 47.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.1 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.32 -54.48 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.2 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.15 -31.53 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.3 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.28 -43.84 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.2 111.122 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttm -60.26 -48.29 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.18 -33.02 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -64.44 -45.1 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.8 mt -71.9 -34.01 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.113 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -60.26 -42.18 94.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.1 110.863 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.6 -36.22 73.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 61.3 111.118 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -75.47 -39.89 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -31.11 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.5 110.914 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -81.78 -31.5 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.3 110.876 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.32 -47.74 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.865 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.44 -39.52 88.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.93 -31.88 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.881 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.9 -53.84 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.897 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -65.84 -45.54 81.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.943 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.57 94.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 70.4 111.095 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.25 -42.11 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.2 110.888 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -70.76 -41.01 72.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 72.2 110.574 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.425 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -59.47 -51.52 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 75.2 110.769 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 19.4 pttt -62.85 -27.58 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 75.4 111.016 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.63 -54.07 51.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.5 110.968 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 4.0 p90 -81.44 -36.73 29.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.311 -0.404 . . . . 74.4 110.466 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.425 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 17.9 mt -60.02 -33.38 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.489 . . . . 75.4 110.889 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -86.09 -31.58 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.929 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.085 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 74.2 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.35 -40.1 45.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.871 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -79.25 -37.87 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.2 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.7 96.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.148 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.8 mt -75.93 -34.88 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.2 111.145 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.2 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.61 -37.61 82.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.847 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -33.96 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.075 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -79.87 -41.23 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.88 -45.87 66.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -60.05 -47.95 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 63.1 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.3 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 54.1 111.095 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -79.4 -35.11 41.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.207 -0.452 . . . . 70.3 111.366 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.45 -52.75 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 72.3 110.893 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.13 -47.32 86.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -62.44 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.06 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 73.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.63 -28.26 0.54 Allowed Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.561 -0.828 . . . . 70.4 112.431 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.31 121.91 22.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.339 . . . . 73.4 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -108.23 -35.44 6.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.202 0.525 . . . . 73.4 111.114 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.97 -57.76 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 70.5 110.496 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.785 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.421 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . . . -66.77 -40.49 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 51.5 111.082 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.6 tp -60.22 -43.7 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.4 110.888 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.94 -40.34 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.67 -38.22 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 62.1 110.919 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 13.3 m-85 -60.02 -46.22 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.3 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -60.21 -40.79 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.924 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -63.49 -36.5 83.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.924 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 72.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.76 -36.05 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -64.31 -44.94 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 71.4 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -74.34 -36.7 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.911 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.42 ' CD1' HG21 ' A' ' 61' ' ' ILE . 11.0 m-85 -65.76 -48.85 70.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.937 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.82 -33.89 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 65.4 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 41.4 t60 -65.66 -31.69 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.1 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.2 t -79.42 -51.99 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 63.5 111.077 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.21 -40.85 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 64.4 111.118 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -65.18 -43.36 91.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.924 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -73.16 -69.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.6 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.01 -178.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.1 111.088 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.57 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.946 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -149.68 -157.7 7.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 70.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -73.24 -58.22 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 73.2 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.33 -31.57 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.911 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.86 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.76 -42.73 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.99 72.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -46.27 60.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 61.4 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 HD12 HG23 ' A' ' 61' ' ' ILE . 34.3 mt -69.92 -34.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 63.1 111.076 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -59.49 -49.16 78.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.86 -32.42 73.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.2 111.114 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 38.3 mtmt -76.8 -41.43 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.939 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -30.55 68.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.4 110.939 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -82.67 -31.68 28.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -69.25 -47.81 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 18.5 m-85 -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 75.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.01 -41.51 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.931 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.91 -46.83 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -63.88 -32.65 74.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.878 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.28 -40.54 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 63.0 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.98 -36.86 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.945 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -75.44 -39.05 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 7.5 mp -62.73 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 70.3 110.886 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -64.96 -28.1 69.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.888 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.81 -51.22 70.94 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.361 -0.381 . . . . 61.5 110.99 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 2.8 p90 -84.23 -37.25 22.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.626 -0.261 . . . . 74.4 111.231 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -60.06 -42.85 95.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.922 -0.581 . . . . 70.4 110.914 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -31.72 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 71.2 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 73.1 110.591 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 74.3 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.32 -44.63 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.926 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -60.28 -31.62 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -74.39 -31.64 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.885 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . . . -72.48 -36.66 68.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 70.5 111.117 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.61 -36.88 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 72.4 111.091 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.53 -45.41 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.868 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mt -72.01 -37.51 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.871 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.92 -33.58 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.4 111.108 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -46.28 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -67.67 -42.1 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.4 111.015 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -59.92 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 70.5 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.4 74.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 45.5 111.115 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -78.19 -35.42 48.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 64.1 111.025 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -60.38 -52.62 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.851 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -47.43 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 65.2 110.858 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -61.09 -31.73 71.41 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.003 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.4 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 72.2 111.169 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.36 -28.97 1.5 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.402 -0.904 . . . . 75.4 112.482 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -71.86 117.86 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 65.2 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -103.06 -42.31 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.902 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.5 111.021 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.28 -42.29 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 51.3 110.917 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -36.25 82.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.2 111.078 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.4 110.858 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.25 -35.17 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 64.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -72.17 -39.14 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 73.1 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.72 -51.05 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 75.5 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -37.85 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 52.5 110.951 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.407 ' O ' ' CD2' ' A' ' 43' ' ' TYR . 7.7 m170 -60.59 -45.98 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.92 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.2 111.109 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.55 -45.73 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.57 -38.44 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 39' ' ' HIS . 55.1 m-85 -75.29 -31.24 60.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 64.5 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 14' ' ' ALA . 11.1 m-85 -77.8 -50.37 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 64.3 110.909 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.31 -31.59 72.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 40.9 t60 -67.55 -48.85 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.32 -48.96 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.072 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.6 t -63.35 -36.11 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 44.3 111.039 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.58 -39.81 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.927 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.0 m-85 -77.56 -73.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -161.61 94.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.3 110.875 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.28 -176.05 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.138 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -82.51 -39.08 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 178.12 43.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 62.4 112.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.19 -55.52 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 41.5 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -32.99 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.881 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.72 93.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 63.3 111.06 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.46 -46.31 90.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.925 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.97 -33.02 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 71.1 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -43.86 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.45 -33.99 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.047 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.903 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -27.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -78.97 -46.37 18.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.065 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -60.27 -33.08 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.949 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -79.3 -31.55 43.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.64 -48.32 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 18' ' ' ALA . 23.0 m-85 -71.54 -33.49 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.901 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.4 mt -60.26 -44.62 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 70.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.1 -44.52 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 74.1 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -66.89 -47.5 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 73.4 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -32.89 73.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 62.2 111.069 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -60.41 -43.52 96.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -74.49 -39.19 62.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.471 . . . . 62.4 111.204 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.5 -51.99 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 74.2 110.847 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -67.6 -27.89 67.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.877 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.5 -56.73 15.78 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.248 -0.433 . . . . 74.5 111.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.366 . . . . 73.2 110.637 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.9 mt -62.07 -40.9 97.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.892 0.377 . . . . 73.5 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.27 -32.04 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.5 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.831 -179.64 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 72.4 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.14 -46.27 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.945 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -60.04 -35.09 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CD ' ' CE2' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -77.76 -31.35 51.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 44' ' ' PHE . . . -66.73 -38.45 86.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 53.4 111.095 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -76.11 -33.6 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 53.5 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.24 -40.6 90.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.876 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.0 -42.23 60.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.2 110.878 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.37 94.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 74.1 111.11 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 64.5 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -71.12 -36.7 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.931 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.1 111.089 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.95 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 51.3 111.093 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -76.43 -31.96 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.4 110.793 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.0 -49.01 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.87 0.367 . . . . 71.2 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.53 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.4 110.879 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.51 -33.88 76.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.17 -0.468 . . . . 73.1 111.179 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.92 -47.28 66.15 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.895 -0.593 . . . . 72.1 111.109 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.39 -31.84 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.134 -0.555 . . . . 60.3 112.787 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -74.26 117.16 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 64.3 110.844 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -103.87 -39.14 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.35 -54.97 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 61.5 111.058 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.2 -36.0 80.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 73.5 110.687 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.82 92.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.2 111.123 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.24 -48.07 83.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 62.1 110.919 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -35.44 75.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.5 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.91 -38.63 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.913 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 15.6 m-85 -60.31 -43.62 96.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 74.3 110.929 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.72 -42.15 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.34 -44.2 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.897 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.1 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 74.1 111.116 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.02 -32.15 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.0 111.05 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.7 -45.28 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 70.5 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.426 ' CE2' ' CD ' ' A' ' 13' ' ' LYS . 72.6 m-85 -75.34 -32.55 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.4 110.872 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' CE1' ' HB1' ' A' ' 14' ' ' ALA . 7.0 m-85 -67.65 -38.84 84.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.7 -30.87 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 56.9 t60 -63.1 -55.64 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -59.54 -43.61 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.2 111.131 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 35.9 t -69.74 -40.76 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.1 111.07 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.417 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 4.0 ttpt -69.63 -42.78 73.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -72.67 -71.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.75 92.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.894 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.85 -176.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.3 111.142 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.97 -41.48 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.1 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -169.3 -176.9 39.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.485 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.52 -55.11 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 74.2 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -62.48 -32.91 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -46.47 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 61.2 111.089 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -60.31 -42.49 95.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.867 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.34 -33.01 71.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 60.3 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -43.39 71.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.458 HG21 HD11 ' A' ' 61' ' ' ILE . 32.9 mt -69.76 -33.98 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.4 111.097 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -60.68 -46.78 89.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.13 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 65.4 111.114 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 11.9 mtmt -73.28 -43.26 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.6 m -60.03 -30.79 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.878 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 t -85.32 -31.69 22.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.859 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -69.25 -47.87 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 73.2 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 64' ' ' LYS . 17.3 m-85 -71.49 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.1 mt -60.27 -44.78 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 75.3 110.876 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.64 -39.57 94.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.2 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -72.19 -49.92 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.889 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.79 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 72.2 111.061 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.17 -40.09 88.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 73.4 110.937 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.17 -41.28 70.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 6.3 mp -59.14 -52.04 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.834 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -62.82 -27.87 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.753 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.59 -52.6 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 72.1 111.043 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.437 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.6 p90 -83.84 -33.41 24.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.844 0.354 . . . . 75.3 110.778 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 23.6 mt -65.97 -36.83 84.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.894 0.378 . . . . 74.2 110.752 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -31.31 28.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 70.1 110.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.497 -0.319 . . . . 55.4 110.922 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 74.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -71.18 -39.07 72.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.26 -33.88 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.888 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -36.07 43.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.913 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -37.53 79.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 71.4 111.09 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.37 -38.85 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.29 -45.02 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.52 -42.88 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.943 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -46.83 88.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 43.3 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -48.2 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 64.2 110.857 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.4 -42.73 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -60.2 -45.1 94.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.58 70.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.04 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -78.98 -36.57 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 71.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.52 -52.72 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.89 -44.89 88.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.2 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -63.5 -31.83 73.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.942 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.17 -43.38 34.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.438 . . . . 75.4 111.447 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.44 -29.85 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.054 -0.593 . . . . 71.4 112.812 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -74.33 112.73 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 73.2 110.801 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -98.86 -36.69 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.868 0.366 . . . . 75.1 111.081 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.69 -53.31 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -36.65 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.47 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.1 111.067 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.27 -49.23 78.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.909 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.3 110.881 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.9 mt -74.65 -40.23 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.924 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.39 -49.81 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.893 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -60.6 -38.89 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 54.1 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.29 -44.64 95.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.85 -46.89 87.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 70.1 111.079 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.17 -35.08 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.131 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.36 -49.75 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 71.1 110.883 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -72.56 -36.45 68.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 73.2 110.887 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -61.19 -56.29 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.883 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.71 -31.58 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 45.5 t60 -60.28 -37.79 81.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.898 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.36 -34.1 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 74.1 111.152 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.15 -36.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.5 111.09 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -31.66 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.4 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -87.56 -72.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.932 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -162.47 97.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 70.1 110.895 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -72.23 -169.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 71.1 111.11 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -89.44 -36.25 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 65.4 110.884 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.76 -173.97 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.5 112.53 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.36 -55.98 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 62.3 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -59.97 -30.96 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.11 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 62.2 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -60.08 -52.57 64.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.915 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -33.05 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.904 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -63.47 -44.64 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 53.4 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.05 -33.99 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.3 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.57 93.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.924 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.47 -33.52 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.033 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -76.27 -42.08 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.94 -31.0 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -81.87 -31.48 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 71.1 110.89 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.33 -47.63 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.41 -36.42 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.94 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.26 -37.28 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.45 -43.07 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -67.45 -51.78 47.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.2 110.939 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.93 -41.82 92.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.1 111.109 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -34.42 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -72.38 -42.36 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.928 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 8.9 mp -59.25 -52.02 67.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.1 110.916 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -63.15 -27.89 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.3 110.846 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.65 -56.92 15.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.4 p90 -76.37 -37.8 56.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.197 0.523 . . . . 74.2 110.875 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 27.1 mt -58.8 -31.12 68.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.016 -0.538 . . . . 73.3 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -79.86 -42.91 23.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.341 . . . . 73.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 120.936 0.398 . . . . 72.4 110.885 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 70.1 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 tp -69.49 -35.92 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.889 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.54 -49.32 78.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.861 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.24 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 73.2 111.088 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.89 -33.5 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 70.5 111.06 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.92 -49.57 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.3 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.23 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.913 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 70.3 111.093 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m -61.64 -44.0 97.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.2 110.896 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -70.62 -39.16 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 73.4 110.956 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -60.14 -47.49 85.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.1 111.101 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.85 89.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 63.4 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -74.36 -31.49 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.106 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.66 -38.7 77.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.4 110.889 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.04 -51.04 27.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.2 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.3 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.3 72.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 71.5 111.234 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.38 -28.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.973 -0.632 . . . . 51.2 112.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.26 115.5 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 62.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.64 -36.04 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.3 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -64.51 -55.49 20.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.224 -0.443 . . . . 62.2 111.096 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -41.91 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 75.1 110.955 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.35 -36.24 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 44.1 111.082 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.29 -50.2 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.939 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -62.57 -31.59 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 74.4 110.863 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.08 -37.2 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 14.2 m-85 -60.64 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.38 -40.64 85.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 62.3 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.55 -44.91 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.91 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.63 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.4 111.073 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 t -66.26 -35.95 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.3 111.067 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.42 -47.86 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -72.6 -38.24 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.91 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -60.21 -55.04 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.941 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.65 -31.18 70.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 46.3 t60 -60.54 -38.47 84.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.03 -34.17 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.3 111.136 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.42 -36.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.1 111.172 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -45.85 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.485 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.1 m-85 -71.37 -73.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -168.09 96.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.07 -171.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 64.1 111.109 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -93.96 -31.32 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.38 170.93 40.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 53.2 112.512 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.01 -52.18 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 73.4 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -61.22 -31.61 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.925 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.73 -40.67 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.3 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.8 mttt -60.41 -49.57 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.916 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -60.33 -33.01 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -65.77 -42.6 90.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 64.1 110.895 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 25.5 mt -72.31 -34.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.3 111.037 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -59.68 -49.11 79.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.867 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.03 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.064 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -76.12 -43.22 44.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.912 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.28 -30.92 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 65.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -82.66 -31.57 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.842 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.33 -48.35 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.4 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.43 -37.67 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 73.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.27 -44.44 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.1 110.948 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.95 -37.07 85.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 70.2 110.921 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -68.02 -43.75 78.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.1 -31.18 58.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.92 -47.21 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.1 110.901 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -73.81 -37.14 65.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.35 -51.99 67.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.922 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -67.85 -27.67 66.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.619 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.45 -57.2 12.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.1 111.142 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 6.2 p90 -67.28 -36.24 81.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.165 -0.471 . . . . 73.3 110.728 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.6 mt -62.75 -40.92 98.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.254 -0.43 . . . . 61.4 110.945 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -75.96 -32.22 59.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.919 -0.582 . . . . 73.5 110.976 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.239 0.501 0 CA-C-N 115.851 -0.613 . . . . 74.3 110.679 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 75.4 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.95 -43.67 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -59.46 -38.99 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 63.1 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -73.93 -31.64 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.41 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 43.5 111.106 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.6 -32.36 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.1 111.111 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.57 -44.75 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -63.34 -45.7 90.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.895 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.74 91.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 73.1 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 m -60.3 -43.43 96.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 62.3 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -73.67 -31.61 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.44 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.2 111.148 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.88 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.3 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.06 -32.01 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.673 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.24 -52.46 33.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.421 -0.354 . . . . 75.2 110.91 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.71 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.27 -32.08 70.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.163 0.506 . . . . 73.5 111.005 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.77 43.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 72.3 111.004 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.16 -28.71 0.58 Allowed Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.738 -0.744 . . . . 43.2 112.573 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -73.81 112.16 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 74.5 110.927 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.95 -41.62 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.939 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -56.84 16.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.764 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.87 -34.6 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.23 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -60.35 -52.31 65.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.915 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.78 -33.8 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 64.3 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.29 -39.83 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 75.2 110.896 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -60.31 -46.92 88.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.897 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -61.24 -39.33 89.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -60.89 -46.76 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.845 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.91 -42.52 94.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 64.2 111.115 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.15 -32.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 62.5 111.082 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -67.84 -48.56 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -73.3 -37.03 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.915 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.4 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.6 m-85 -60.38 -46.89 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.914 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.72 -31.65 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.496 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 70.3 t60 -60.49 -36.46 78.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 75.3 110.871 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.98 -44.8 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.8 t -65.53 -36.17 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 72.2 111.085 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -74.72 -37.62 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.5 110.904 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.9 m-85 -80.91 -67.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.2 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -171.96 99.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.922 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.77 -176.28 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.106 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 -161.64 21.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 74.3 112.504 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.43 -56.93 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 62.5 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -60.36 -31.6 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.48 -45.67 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.091 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -60.24 -43.37 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.864 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.58 -32.99 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.1 110.932 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -40.09 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.4 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 38.4 mt -73.91 -33.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 73.2 111.128 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -60.26 -45.73 92.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.14 -35.11 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.059 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -73.96 -43.38 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.914 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 -31.36 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -84.58 -31.6 24.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.919 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.04 -48.13 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.2 110.922 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.0 -42.98 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.894 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.32 -31.92 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 70.5 110.92 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.49 -50.13 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -64.73 -50.77 65.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.2 81.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 62.4 111.097 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.58 -48.57 81.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.949 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -35.03 68.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.189 -0.459 . . . . 65.3 111.125 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.33 -52.06 67.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 54.4 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ptmm? -67.73 -27.73 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.693 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -57.09 12.79 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.859 0.362 . . . . 75.2 111.103 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.2 p90 -67.22 -36.07 80.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 71.2 111.024 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 70.4 mt -62.89 -32.68 73.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.308 -0.406 . . . . 73.3 110.919 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -86.22 -31.44 21.71 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 115.806 -0.634 . . . . 75.4 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.9 -0.591 . . . . 74.5 110.67 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 74.3 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -72.95 -37.89 66.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -74.8 -39.76 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.1 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.19 86.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.12 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.52 -36.33 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 72.1 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.98 -38.5 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.1 110.921 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.28 -38.35 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.1 111.139 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -74.19 -48.14 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.1 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -65.24 -45.32 85.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.063 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' CB ' ' CE1' ' A' ' 37' ' ' TYR . . . -59.94 -47.25 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 72.3 111.102 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.07 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.074 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -79.11 -32.39 44.56 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.168 -0.469 . . . . 62.4 111.068 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.17 -52.64 46.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 65.4 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.94 -45.08 96.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -65.48 -31.97 73.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.787 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.85 46.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.159 0.504 . . . . 61.2 111.292 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.79 -30.63 0.4 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.387 -0.911 . . . . 52.3 112.283 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -73.99 113.81 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.673 -0.31 . . . . 74.3 111.22 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -101.42 -41.37 6.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.819 0.342 . . . . 74.5 110.941 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -61.68 -52.91 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.235 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -40.54 95.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.404 -0.362 . . . . 53.5 110.92 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.18 83.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.105 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.34 -48.74 80.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 62.5 110.865 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.07 -33.02 73.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 52.3 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 mt -74.88 -39.35 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.901 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CE1' ' CB ' ' A' ' 21' ' ' ALA . 18.6 m-85 -60.37 -35.57 76.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.3 110.859 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -71.05 -44.86 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -60.32 -41.8 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 64.4 110.894 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -44.12 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 55.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.3 t -68.3 -33.67 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.076 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.74 -47.21 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.3 110.887 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -70.43 -37.56 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.2 110.9 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 5.2 m-85 -63.39 -55.06 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.29 -31.94 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.931 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.7 t60 -62.63 -35.4 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.5 110.934 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 t -75.36 -46.3 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.026 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.53 -36.18 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 64.2 111.087 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -72.08 -44.87 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -73.41 -69.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 75.3 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -169.22 94.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 62.4 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.19 178.46 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 52.5 111.131 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.76 -67.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.926 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -142.7 -176.61 16.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 72.2 112.466 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.9 -51.3 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 75.1 110.877 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.61 -31.57 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.3 110.885 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.07 -42.66 89.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.098 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -60.47 -47.94 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.94 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -36.86 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.864 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -65.07 -45.59 84.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.932 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -69.22 -33.97 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 75.2 111.057 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -58.82 -40.22 83.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.32 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.1 111.043 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -75.16 -42.73 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.4 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -81.77 -31.5 31.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 62.4 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -71.43 -48.03 52.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 71.2 110.897 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -68.09 -37.61 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.927 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.29 -41.73 93.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.06 -41.07 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.931 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -68.0 -39.15 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 65.4 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.85 -34.13 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.103 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.29 -45.62 92.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -71.29 -38.32 71.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 72.2 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.8 -51.87 68.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 71.4 110.824 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -28.2 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.4 110.901 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -53.85 -57.15 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.031 -0.532 . . . . 74.5 111.329 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.8 p90 -67.94 -34.56 76.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.0 0.428 . . . . 74.2 110.681 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 68.2 mt -65.7 -34.96 79.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 73.5 110.929 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -78.63 -33.62 47.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.871 -0.604 . . . . 71.3 111.175 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.966 -0.561 . . . . 64.3 111.048 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 74.299999999999997 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.5 -47.49 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 65.200000000000003 110.95 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.29 -33.49 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.936 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 17' ' ' LEU . 28.9 tptt -69.83 -31.66 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.099999999999994 110.873 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.9 -40.16 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 111.09 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.19 -41.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.200000000000003 111.081 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -46.68 89.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.1 mt -71.14 -33.48 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.65 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.099999999999994 111.107 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.01 -45.82 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.100000000000001 110.937 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -65.82 -37.99 87.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -64.29 -46.13 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 72.299999999999997 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.32 -34.65 36.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 62.399999999999999 110.776 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 13.5 mm-40 -64.86 -47.74 76.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.29 -0.414 . . . . 65.400000000000006 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.51 -43.69 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.95 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -68.48 -32.07 71.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 73.099999999999994 110.709 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.19 -44.67 45.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.613 -0.267 . . . . 61.200000000000003 110.991 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.3 -33.21 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.365 -0.921 . . . . 52.299999999999997 112.047 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -74.06 118.67 17.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.73 0.3 . . . . 74.299999999999997 110.839 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -105.66 -36.51 7.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 74.5 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.24 -53.73 54.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.806 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.29 -33.72 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 53.5 110.737 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -70.03 -37.07 75.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.5 111.108 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.3 tp -60.44 -52.38 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.6 -31.7 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 52.299999999999997 110.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD23 ' A' ' 17' ' ' LEU . 21.8 mt -73.99 -37.71 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 63.299999999999997 110.915 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.7 m-85 -60.4 -43.53 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.81 -38.5 86.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -61.18 -45.11 95.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 61.299999999999997 110.892 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.44 -40.16 85.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 55.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.1 t -71.94 -32.07 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 111.069 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -43.35 87.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 61.299999999999997 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.3 m-85 -75.32 -38.57 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.200000000000003 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.1 m-85 -60.25 -51.29 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.857 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.35 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.78 -37.29 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -74.54 -48.85 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.400000000000006 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.693 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -59.96 -37.28 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 52.399999999999999 111.11 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -73.93 -46.58 43.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.5 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -71.74 -73.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 63.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -159.22 96.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 62.399999999999999 110.93 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -69.79 -177.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 44.5 111.131 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -81.8 -44.3 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 75.099999999999994 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.98 -176.46 39.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 72.200000000000003 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -60.16 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 75.099999999999994 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -60.25 -31.63 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.905 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -63.37 -44.58 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 111.09 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 23.4 mttt -60.18 -43.01 96.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.939 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 110.905 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -39.72 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.693 HD12 HG22 ' A' ' 48' ' ' VAL . 30.4 mt -72.54 -34.03 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -60.32 -44.29 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 74.200000000000003 110.857 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.38 -35.46 75.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.099999999999994 111.072 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -74.57 -42.76 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.400000000000006 110.85 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.17 -31.51 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 50.399999999999999 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.83 -31.59 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 55.299999999999997 110.941 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -50.72 65.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 64.200000000000003 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -69.61 -38.93 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.36 -39.97 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.73 -40.86 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -69.51 -51.15 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 65.400000000000006 110.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -64.63 -34.15 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 111.096 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -72.16 -37.66 69.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.993 -0.548 . . . . 72.200000000000003 110.97 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -52.04 67.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 71.400000000000006 110.956 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 34' ' ' LEU . 28.7 pttt -65.66 -27.94 68.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.99 -55.56 31.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.049 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -74.83 -36.87 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 64.099999999999994 110.771 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.439 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 21.3 mt -60.15 -36.63 77.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 73.5 111.066 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -32.66 38.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.81 -0.632 . . . . 71.299999999999997 111.086 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.501 -0.318 . . . . 64.299999999999997 110.797 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 47' ' ' VAL . 17.8 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.801 0.334 . . . . 75.400000000000006 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.25 -44.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.099999999999994 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.41 -31.61 70.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 17' ' ' LEU . 14.2 tptt -73.62 -35.02 65.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -68.35 -36.5 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.8 -42.19 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.400000000000006 111.159 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 62.100000000000001 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 13' ' ' LYS . 7.3 mt -73.17 -33.52 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 110.941 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.1 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 71.299999999999997 111.095 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.5 m -60.41 -48.11 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 74.299999999999997 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -60.45 -40.91 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.96 -48.24 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 52.5 111.123 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.89 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 54.200000000000003 111.115 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -34.26 47.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.143 -0.48 . . . . 55.299999999999997 111.157 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 20.9 mm-40 -64.25 -51.27 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.493 . . . . 54.299999999999997 110.905 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.36 -50.98 71.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -61.58 -32.18 72.27 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.151 -0.477 . . . . 65.400000000000006 110.888 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.82 62.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 72.5 111.049 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.73 -28.43 2.53 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.706 -0.759 . . . . 50.100000000000001 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.02 107.82 7.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 61.200000000000003 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -95.2 -40.76 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.399999999999999 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -54.53 45.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.299999999999997 111.053 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -39.98 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.7 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.48 -36.22 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 63.200000000000003 111.092 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 76' ' ' LYS . 34.8 tp -60.29 -50.49 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 110.857 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.97 -31.65 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.099999999999994 110.938 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' HD23 ' A' ' 17' ' ' LEU . 17.9 mt -73.23 -39.57 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 72.400000000000006 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.686 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.8 m-85 -60.31 -42.67 96.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.41 -40.87 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 55.399999999999999 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.69 -44.36 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.399999999999999 110.9 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.83 -41.85 92.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.8 -34.84 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 52.100000000000001 111.076 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.26 -49.04 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.200000000000003 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.2 m-85 -70.42 -38.55 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.400000000000006 110.951 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' HG23 ' A' ' 61' ' ' ILE . 5.1 m-85 -60.33 -56.96 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.919 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.33 -31.58 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.401 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 59.0 t-80 -60.36 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.74 -42.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.099999999999994 111.169 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.44 -42.57 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -38.35 77.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.914 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 46' ' ' HIS . 4.9 m-85 -81.14 -68.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.946 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -168.16 101.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 110.92 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.56 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -76.77 -176.16 3.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 43.5 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -78.03 -53.71 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 54.200000000000003 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.578 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.57 -173.86 34.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 50.299999999999997 112.499 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -54.91 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 75.200000000000003 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -60.37 -34.07 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.5 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.578 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -67.18 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.299999999999997 111.083 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 40.9 mttt -60.3 -44.87 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.299999999999997 110.93 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -60.38 -32.94 71.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.911 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.2 t -67.97 -44.2 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 74.200000000000003 110.939 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 44' ' ' PHE . 29.8 mt -72.57 -33.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -60.41 -43.76 96.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.31 -36.28 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 63.299999999999997 111.138 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -74.4 -42.74 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.14 -31.15 69.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.200000000000003 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -83.43 -31.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 65.099999999999994 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.94 -47.72 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.05 -41.33 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.400000000000006 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.32 -36.25 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.099999999999994 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.73 -37.83 64.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.099999999999994 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -72.28 -34.29 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -80.65 -34.01 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.099999999999994 111.115 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.1 -44.96 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 73.099999999999994 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -37.14 64.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 73.099999999999994 110.722 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.16 -52.3 66.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 61.299999999999997 110.859 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB3' HD21 ' A' ' 34' ' ' LEU . 8.2 pttp -67.69 -27.97 67.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.035 -0.529 . . . . 74.299999999999997 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.01 -57.15 12.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 75.400000000000006 111.241 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.6 p90 -67.51 -36.15 80.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 71.5 110.836 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.449 HD12 HD22 ' A' ' 34' ' ' LEU . 66.0 mt -63.2 -35.34 79.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.083 -0.508 . . . . 71.299999999999997 111.031 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -80.02 -31.19 39.64 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.0 -0.545 . . . . 71.299999999999997 110.955 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.32 . . . . 52.100000000000001 110.668 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 72.099999999999994 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.3 -49.42 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.299999999999997 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -60.31 -31.56 70.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HG3' HD12 ' A' ' 17' ' ' LEU . 13.2 tptm -73.46 -31.59 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -73.33 -36.54 66.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.099999999999994 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.73 -41.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.24 -46.2 91.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.400000000000006 110.941 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.7 mt -71.25 -34.39 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.49 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.5 111.119 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -41.4 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.400000000000006 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -32.39 72.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 62.299999999999997 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -68.7 -47.53 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 111.086 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -33.92 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.299999999999997 111.128 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.11 -31.7 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.400000000000006 111.035 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.63 -50.03 54.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 61.200000000000003 110.876 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.61 -38.07 86.21 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.299999999999997 110.722 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.71 -43.43 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.200000000000003 111.02 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.69 -31.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.762 -0.732 . . . . 52.299999999999997 112.446 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -69.62 115.62 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 63.299999999999997 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.476 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.05 -39.48 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 61.200000000000003 110.934 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.23 -47.32 86.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.182 -0.463 . . . . 60.100000000000001 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.2 tp10 -71.35 -34.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 70.299999999999997 110.605 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.77 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 54.100000000000001 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 76' ' ' LYS . 60.3 tp -60.3 -55.22 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 53.299999999999997 110.926 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.29 -31.62 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.400000000000006 110.936 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 22.5 mt -73.12 -38.86 66.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.400000000000006 110.922 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 17.5 m-85 -60.32 -37.76 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.887 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.77 -39.85 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 73.099999999999994 110.901 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.57 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.96 -43.94 98.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.299999999999997 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -45.54 92.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.299999999999997 111.096 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -64.51 -35.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 53.399999999999999 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.099999999999994 110.864 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.607 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 61.9 m-85 -71.94 -37.19 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.861 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 4.2 m-85 -60.35 -55.88 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 60.100000000000001 110.854 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.1 mt -60.47 -31.56 70.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 53.200000000000003 110.9 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -61.29 -35.8 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 110.928 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -75.63 -52.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 54.5 111.103 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -59.94 -36.13 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.099999999999994 111.101 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 5.5 ttpt -74.25 -39.47 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' CE1' ' HE2' ' A' ' 49' ' ' LYS . 4.7 m-85 -80.93 -73.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.200000000000003 110.913 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.2 97.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.587 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.45 -176.12 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.299999999999997 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.29 -49.57 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.565 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.5 -171.22 36.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 64.299999999999997 112.505 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -60.37 -53.23 60.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 73.099999999999994 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -60.36 -31.54 70.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 73.400000000000006 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -74.22 -45.43 48.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 63.5 111.054 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 37.5 mttm -60.31 -51.34 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -60.35 -32.96 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.5 110.895 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -65.87 -45.45 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.400000000000006 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.33 -34.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.043 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -59.52 -49.54 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.52 -31.18 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 53.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -75.8 -43.22 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -60.16 -31.0 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -82.94 -31.57 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.917 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -71.15 -48.16 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.299999999999997 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -66.65 -42.89 85.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.400000000000006 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' A' ' 41' ' ' VAL . 14.2 mt -60.44 -34.51 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.894 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.09 -42.55 89.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -74.46 -35.56 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.099999999999994 110.934 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -77.67 -37.33 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 60.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.3 -47.09 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.898 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -71.37 -34.65 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 54.299999999999997 110.748 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -61.42 -52.1 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.4 -0.364 . . . . 74.299999999999997 110.823 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.673 ' HB3' HD21 ' A' ' 34' ' ' LEU . 11.2 pttt -67.58 -27.96 67.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 71.400000000000006 110.922 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -53.52 56.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.427 . . . . 74.400000000000006 110.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.2 p90 -76.16 -36.98 58.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 75.299999999999997 110.752 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 34' ' ' LEU . 18.0 mt -59.67 -43.47 93.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 73.400000000000006 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 71.400000000000006 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 73.099999999999994 111.147 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.849 0.357 . . . . 73.299999999999997 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -73.89 -36.68 64.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.37 -45.18 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 73.400000000000006 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -68.27 -33.91 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.299999999999997 110.957 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.37 -39.33 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.400000000000006 111.089 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.77 -31.23 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 55.100000000000001 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.26 -44.84 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.898 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 11.5 mt -68.4 -41.06 81.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.885 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.5 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 70.099999999999994 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -63.32 -39.2 93.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 44.299999999999997 110.912 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -73.27 -33.78 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 70.299999999999997 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.77 -49.75 60.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.14 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.85 -31.44 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.5 111.156 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.49 -52.71 29.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 74.400000000000006 110.889 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD1' HD21 ' A' ' 75' ' ' LEU . 11.8 t70 -63.38 -40.57 97.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 63.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.68 -32.27 73.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 111.032 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.61 -30.86 52.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.945 -0.57 . . . . 63.5 111.116 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.25 -28.56 1.95 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 54.5 112.745 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.78 105.09 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.400000000000006 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.523 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -95.31 -41.14 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.200000000000003 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.41 -58.14 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 70.5 110.819 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.6 -33.86 73.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 75.400000000000006 110.788 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.14 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.399999999999999 111.158 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 76' ' ' LYS . 39.2 tp -60.4 -49.79 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 63.5 110.914 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.29 -33.08 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.099999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.84 -38.16 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.200000000000003 110.901 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.2 m-85 -60.37 -38.19 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.907 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.757 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.8 m170 -60.35 -45.42 93.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.100000000000001 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.5 94.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 64.400000000000006 111.064 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.1 t -66.0 -33.4 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.095 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.1 m-85 -72.29 -37.67 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 71.299999999999997 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.28 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.099999999999994 110.912 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.38 -31.81 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.91 -39.15 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.899 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -73.39 -43.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.099999999999994 111.043 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.668 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -68.33 -36.99 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 51.399999999999999 111.119 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -31.73 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -87.11 -71.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.86 95.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 110.934 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.9 -176.21 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 65.099999999999994 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -74.34 -49.45 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.5 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.6 -172.26 36.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 65.099999999999994 112.572 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.53 -54.05 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 75.400000000000006 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.3 -35.19 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 52.200000000000003 110.879 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.52 -45.53 83.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 111.086 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -60.14 -43.6 95.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 65.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -60.32 -32.99 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 54.299999999999997 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -39.93 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 60.200000000000003 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 48' ' ' VAL . 39.2 mt -74.0 -34.04 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.299999999999997 111.075 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -60.29 -46.94 88.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.39 -34.53 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -74.23 -43.14 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.969 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.9 m -60.07 -31.12 69.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.0 t -83.96 -31.53 25.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 62.100000000000001 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.41 -47.97 65.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 61.399999999999999 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.57 -41.51 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.299999999999997 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 65' ' ' CYS . 14.6 mt -60.35 -38.77 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 110.902 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.68 -41.06 75.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.923 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -70.49 -48.16 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -63.67 -35.68 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 111.094 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.97 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 72.400000000000006 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -68.62 -36.5 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.5 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -62.91 -52.07 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.399999999999999 110.806 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.65 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 pttp -64.66 -27.73 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.744 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.96 -52.33 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.729 0.299 . . . . 72.400000000000006 110.85 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.0 p90 -83.11 -37.19 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.261 0.553 . . . . 74.299999999999997 111.19 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -59.85 -32.67 70.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.805 -0.634 . . . . 53.200000000000003 110.964 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -84.53 -37.54 21.13 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.857 0.36 . . . . 72.099999999999994 110.778 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.732 0.301 . . . . 75.200000000000003 110.668 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.761 0.315 . . . . 73.5 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' OE1' ' A' ' 53' ' ' GLN . 6.9 tp -68.68 -45.61 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 110.886 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -74.37 -31.66 62.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.200000000000003 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.22 -35.07 71.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 70.299999999999997 111.1 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.75 -37.6 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 55.299999999999997 111.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.57 -45.18 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.8 mt -73.99 -36.9 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.4 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 51.399999999999999 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -66.55 -42.59 86.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.299999999999997 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -68.64 -35.61 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.299999999999997 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.19 -47.93 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.099999999999994 111.096 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.62 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.5 111.091 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -76.23 -31.62 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.200000000000003 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -52.68 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.896 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.708 ' OD2' HD21 ' A' ' 75' ' ' LEU . 6.6 t0 -61.8 -44.95 95.85 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -68.34 -31.53 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.71 -42.07 59.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.488 -0.323 . . . . 74.099999999999994 110.856 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.97 -30.43 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.594 -0.812 . . . . 63.5 112.761 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -73.52 120.86 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 64.5 110.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -105.6 -40.93 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 74.099999999999994 110.974 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 71.099999999999994 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.17 -39.99 94.52 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.337 -0.392 . . . . 74.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -62.57 -37.08 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 32.299999999999997 111.094 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 76' ' ' LYS . 62.0 tp -60.3 -49.38 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.872 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -66.57 -31.91 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 54.100000000000001 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 33.6 mt -74.49 -40.77 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.299999999999997 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.7 m-85 -60.5 -39.29 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.32 -42.41 83.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 62.299999999999997 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.737 ' HB3' HD13 ' A' ' 17' ' ' LEU . 10.3 m170 -61.12 -43.92 98.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 110.923 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.28 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 62.100000000000001 111.125 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.9 t -66.44 -33.65 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 111.079 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -65.58 -49.55 68.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.400000000000006 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 67.8 m-85 -69.03 -37.93 78.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.299999999999997 110.909 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.0 m-85 -62.25 -56.75 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.54 -31.85 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 61.299999999999997 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -61.71 -35.38 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -78.83 -42.83 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 60.200000000000003 111.093 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -67.1 -39.43 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.073 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -32.56 66.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -86.56 -68.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -167.28 96.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 70.200000000000003 110.923 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -65.53 -169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 71.299999999999997 111.063 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -88.11 -40.13 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.399999999999999 110.905 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.79 -178.03 41.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 60.200000000000003 112.473 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.63 -49.87 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.792 0.33 . . . . 65.299999999999997 110.92 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -69.04 -32.32 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.915 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.91 -44.18 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.400000000000006 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -60.48 -45.29 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -32.98 71.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 110.907 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -67.18 -42.01 84.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.299999999999997 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -72.82 -34.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.091 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -60.21 -44.85 94.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.400000000000006 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.463 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.1 -35.4 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 55.100000000000001 111.134 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.25 -42.61 59.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.299999999999997 110.902 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -60.27 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 51.399999999999999 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -83.38 -31.69 26.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.881 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -71.56 -48.31 49.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.45 -41.01 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 75.400000000000006 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.39 -36.29 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.52 -43.43 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.299999999999997 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 5.7 tpt180 -67.07 -51.16 57.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.099999999999994 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -59.79 -38.89 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 62.200000000000003 111.077 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.6 -36.62 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.891 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -72.73 -44.38 61.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 64.200000000000003 110.479 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.708 HD21 ' OD2' ' A' ' 25' ' ' ASP . 9.1 mp -58.64 -51.71 68.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 64.299999999999997 110.829 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 34' ' ' LEU . 23.1 pttt -62.87 -27.94 69.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.5 110.758 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -57.63 -55.23 37.55 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.208 -0.451 . . . . 61.200000000000003 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.7 p90 -78.23 -33.22 49.93 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.367 -0.379 . . . . 70.299999999999997 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 51.3 mt -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 73.400000000000006 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -83.54 -33.24 25.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 110.878 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 74.200000000000003 111.092 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 74.5 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.564 ' HB2' HG21 ' A' ' 47' ' ' VAL . 8.7 tp -73.67 -36.24 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 110.913 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.37 -39.92 88.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 61.5 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.741 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttt -72.7 -34.9 67.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 55.299999999999997 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.68 80.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 64.400000000000006 111.136 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.76 -31.24 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.400000000000006 111.157 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.15 -44.58 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 13' ' ' LYS . 7.2 mt -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 110.898 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -63.12 -47.51 82.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 62.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -42.53 96.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -71.44 -37.79 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.299999999999997 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -63.44 -47.05 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 111.074 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.76 -31.93 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.34 -52.71 24.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.35 -0.386 . . . . 74.5 110.95 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.35 -49.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.299999999999997 110.858 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.0 -31.97 70.42 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 116.222 -0.445 . . . . 51.399999999999999 110.79 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -39.5 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.499 -0.319 . . . . 75.0 110.8 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.55 -29.23 0.85 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 75.400000000000006 112.344 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -72.3 106.7 4.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.625 0.25 . . . . 71.099999999999994 111.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -96.13 -40.85 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 72.0 111.272 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.53 -54.14 49.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 73.5 110.666 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.25 -43.28 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 73.400000000000006 111.03 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.28 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 111.06 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 76' ' ' LYS . 54.1 tp -60.3 -52.9 63.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 63.200000000000003 110.892 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.96 -32.13 71.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 40.5 mt -73.3 -39.32 65.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.879 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 m-85 -60.51 -40.75 92.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.299999999999997 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -65.74 -43.69 88.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.099999999999994 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.735 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 71.299999999999997 110.941 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.79 -46.76 88.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 111.095 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.57 -37.03 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.299999999999997 111.082 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.57 -47.63 80.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.100000000000001 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 55.6 m-85 -73.38 -38.17 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 m-85 -60.28 -53.5 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.17 -31.39 71.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.92 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.16 -38.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LEU . 21.6 t -77.25 -50.15 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -60.27 -36.15 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -40.03 56.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.099999999999994 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.11 -73.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 71.400000000000006 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -161.85 98.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 65.5 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.23 -169.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 75.299999999999997 111.12 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 4.1 mp0 -91.46 -41.87 10.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.400000000000006 110.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.05 -179.88 41.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 71.200000000000003 112.491 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -60.28 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 63.399999999999999 110.916 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -67.9 -31.51 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 42.200000000000003 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.299999999999997 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 25.6 mttm -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.099999999999994 110.908 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -60.12 -32.99 71.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 110.921 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 t -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 51.299999999999997 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 HG22 ' A' ' 48' ' ' VAL . 30.6 mt -72.21 -33.95 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 64.200000000000003 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -60.29 -42.72 96.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.15 -36.39 74.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 111.111 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 26.7 mtmt -75.03 -40.87 60.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 75.5 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.85 -31.17 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 53.5 110.957 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.38 -31.62 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 65.099999999999994 110.913 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.65 -48.46 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.4 m-85 -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -36.54 78.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.099999999999994 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.05 -41.87 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -72.74 -49.79 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 72.099999999999994 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.57 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.089 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 -45.95 90.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 52.200000000000003 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.61 -38.01 62.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.002 -0.545 . . . . 63.200000000000003 110.659 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.0 -52.1 66.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.387 -0.37 . . . . 63.200000000000003 110.939 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.652 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.1 pttp -67.83 -27.86 67.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.151 -0.477 . . . . 63.200000000000003 110.896 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.67 -56.73 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 111.209 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.1 p90 -67.41 -36.4 81.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.536 -0.302 . . . . 73.099999999999994 110.757 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.515 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -63.0 -36.54 83.87 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.035 -0.529 . . . . 71.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -82.03 -31.49 30.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.725 0.297 . . . . 72.299999999999997 110.92 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 62.100000000000001 110.892 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 74.200000000000003 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.14 -41.93 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 70.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -31.55 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.200000000000003 110.912 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -82.31 -31.57 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 60.299999999999997 110.918 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.88 -39.03 87.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 44.200000000000003 111.107 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.33 -38.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 64.5 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.49 -44.97 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.3 mt -73.29 -39.19 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.099999999999994 110.879 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.72 98.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 72.200000000000003 111.085 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -63.37 -41.97 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.200000000000003 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -68.93 -40.65 78.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 61.299999999999997 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -61.82 -45.83 92.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.299999999999997 111.121 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.42 73.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 33.100000000000001 111.091 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -36.4 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 72.400000000000006 110.937 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.39 -46.04 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.316 -0.402 . . . . 72.099999999999994 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD2' HD11 ' A' ' 75' ' ' LEU . 13.8 t0 -64.67 -51.04 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 64.5 110.792 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -41.06 64.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 73.099999999999994 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.63 -29.05 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.701 -0.762 . . . . 64.099999999999994 112.584 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -73.6 116.38 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.61 -0.347 . . . . 60.399999999999999 110.932 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -104.01 -41.83 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.299999999999997 110.93 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.5 -52.72 63.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.57 -43.28 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.299999999999997 111.058 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.24 81.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 54.200000000000003 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.9 tp -60.4 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.91 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.35 -33.3 75.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.93 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 30.7 mt -72.57 -37.27 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 34.200000000000003 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.599 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 14.9 m-85 -60.34 -47.05 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 62.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -62.48 -40.1 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.912 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.555 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.78 -43.13 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.938 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.37 -41.3 89.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.093 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -67.74 -37.3 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 111.089 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -60.22 -47.98 83.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 m-85 -72.44 -38.5 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.917 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.37 -52.6 64.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -34.44 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.400000000000006 110.873 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.56 -38.99 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.200000000000003 110.863 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 52' ' ' ALA . 30.3 t -62.11 -52.57 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 52.100000000000001 111.063 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.756 HG13 ' HG2' ' A' ' 58' ' ' LYS . 21.5 t -73.03 -36.04 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 71.299999999999997 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.75 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -104.29 -61.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.299999999999997 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.61 105.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 65.200000000000003 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -83.97 -169.84 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.200000000000003 111.097 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -61.84 -42.15 98.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.099999999999994 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.17 -150.43 7.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.739 . . . . 75.099999999999994 112.505 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -81.24 -56.19 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 72.200000000000003 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -60.1 -33.67 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.200000000000003 110.913 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.99 97.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.5 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.756 ' HG2' HG13 ' A' ' 48' ' ' VAL . 65.0 mttt -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.11 -33.02 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 63.100000000000001 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -69.97 -37.0 75.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 110.917 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 48' ' ' VAL . 38.8 mt -73.89 -33.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.200000000000003 111.062 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -60.8 -48.04 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.28 -32.27 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 54.200000000000003 111.066 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -76.16 -43.01 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.896 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 m -60.15 -30.9 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.200000000000003 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -82.41 -31.53 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.299999999999997 110.865 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.2 -47.65 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -69.15 -41.34 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.925 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.34 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.100000000000001 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.88 -37.32 84.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.39 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 54.200000000000003 111.062 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.86 -43.25 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.099999999999994 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.33 -37.74 63.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.947 -0.57 . . . . 75.200000000000003 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.519 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.04 -52.45 65.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.221 0.534 . . . . 62.299999999999997 110.875 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HB3' HD21 ' A' ' 34' ' ' LEU . 3.1 ptmt -67.62 -28.12 67.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 72.400000000000006 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.99 -56.98 12.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.094 -0.503 . . . . 54.299999999999997 111.263 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.82 -36.13 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.399999999999999 110.626 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 34' ' ' LEU . 72.0 mt -62.9 -34.96 78.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.5 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -81.52 -31.7 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 54.200000000000003 111.105 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 74.400000000000006 110.965 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 61.100000000000001 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.9 -46.08 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -32.9 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.400000000000006 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -73.2 -32.47 64.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.92 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -70.72 -36.58 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.81 -36.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 111.108 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -44.8 96.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 51.100000000000001 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 39' ' ' HIS . 8.0 mt -71.61 -37.14 70.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.100000000000001 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.74 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -67.28 -43.4 81.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 63.100000000000001 110.899 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -69.24 -40.93 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.91 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 72.5 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.6 82.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.200000000000003 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.2 -0.454 . . . . 71.299999999999997 111.038 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.33 -52.68 63.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 72.299999999999997 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.16 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 61.399999999999999 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -61.89 -35.64 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.898 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.19 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 70.0 111.32 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.91 34.8 0.94 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.625 -0.798 . . . . 34.299999999999997 112.461 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -131.32 93.25 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 70.200000000000003 110.839 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.34 -31.31 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -67.14 -55.19 15.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp10 -67.27 -42.4 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.400000000000006 110.877 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' A' ' 79' ' ' LEU . 65.6 tp -60.03 -51.76 68.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 70.099999999999994 110.856 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.08 -30.97 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.200000000000003 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' CD2' ' A' ' 17' ' ' LEU . 11.1 mt -75.29 -40.16 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 60.399999999999999 110.908 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 41' ' ' VAL . 12.9 m-85 -59.45 -39.22 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.56 -39.05 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.299999999999997 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.761 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.59 -46.21 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.64 -42.45 92.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 54.399999999999999 111.111 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -65.37 -35.75 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.83 -49.31 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.200000000000003 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.584 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.3 m-85 -68.75 -35.76 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.934 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 6.0 m-85 -63.45 -54.17 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.5 110.925 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.67 -31.59 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 63.299999999999997 110.865 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -60.28 -40.95 92.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 64.099999999999994 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -70.58 -34.21 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 111.106 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -77.56 -36.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 111.133 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -40.85 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.885 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -78.98 -72.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.921 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -166.36 98.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -71.63 -169.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.399999999999999 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.04 -54.8 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 62.5 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -159.01 -176.52 31.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 63.100000000000001 112.542 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -60.36 -49.21 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 62.5 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -36.56 83.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.924 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.86 -42.39 99.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.5 111.092 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 30.3 mttt -60.31 -43.89 95.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.099999999999994 110.922 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.37 -32.98 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.299999999999997 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.200000000000003 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 48' ' ' VAL . 34.4 mt -69.95 -33.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.5 111.057 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -62.22 -41.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.62 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 53.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -83.01 -38.32 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 75.5 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.92 -30.98 72.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 64.299999999999997 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 t -86.4 -29.73 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.28 -47.38 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 64.099999999999994 110.824 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -73.98 -40.45 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 73.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 41' ' ' VAL . 18.0 mt -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.81 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 75' ' ' LEU . 13.2 mtp85 -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.886 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -75.84 -35.42 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.400000000000006 111.102 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.13 -40.8 91.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 65.099999999999994 110.903 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -72.77 -37.79 67.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 75.200000000000003 110.618 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -59.43 -52.06 67.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 70.099999999999994 110.849 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 pttm -65.57 -28.04 68.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.64 -54.42 46.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.262 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -76.86 -37.71 55.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.353 -0.385 . . . . 62.100000000000001 110.922 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.696 HD12 HD22 ' A' ' 34' ' ' LEU . 23.0 mt -59.0 -30.28 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 71.099999999999994 111.028 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -87.28 -31.21 20.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 75.299999999999997 110.867 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 65.200000000000003 110.88 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.333 . . . . 75.299999999999997 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -74.33 -38.64 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 45.200000000000003 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -38.03 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.100000000000001 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.45 -35.53 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 63.299999999999997 110.871 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.95 -39.19 84.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 61.5 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.79 -31.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.200000000000003 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.59 -46.76 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.099999999999994 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.0 mt -64.93 -40.5 95.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.881 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.85 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 111.101 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.94 -31.7 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -68.52 -48.3 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.200000000000003 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.89 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.18 -35.12 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 62.200000000000003 110.937 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.4 -48.27 76.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 110.795 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.26 -44.72 87.19 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.234 -0.439 . . . . 71.200000000000003 110.896 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -62.44 -31.94 72.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.142 -0.481 . . . . 65.400000000000006 110.959 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.43 -44.11 53.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 70.299999999999997 111.326 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.67 -30.87 0.62 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.805 -0.712 . . . . 52.200000000000003 112.489 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -71.17 118.64 14.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.565 0.222 . . . . 64.200000000000003 111.37 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -106.57 -35.95 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 73.400000000000006 110.905 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.02 -53.66 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.5 110.838 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.16 -32.83 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 71.400000000000006 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.35 -39.7 77.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 72.099999999999994 111.102 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 76' ' ' LYS . 56.1 tp -60.3 -52.25 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 62.200000000000003 110.91 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.53 -31.67 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.200000000000003 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 23.1 mt -73.65 -40.99 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.8 m-85 -60.32 -38.34 83.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.200000000000003 110.943 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -69.09 -41.55 77.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.92 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.721 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.5 m170 -60.78 -44.25 97.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.81 -47.06 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.31 -33.1 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 55.200000000000003 111.111 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.8 -49.97 68.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.1 m-85 -72.08 -36.26 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 110.869 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.6 m-85 -61.24 -56.16 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.400000000000006 110.89 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.34 -31.62 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 63.399999999999999 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.61 -37.8 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 65.099999999999994 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.08 -40.2 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 111.139 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -67.92 -39.62 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.125 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -71.76 -54.87 8.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 54.399999999999999 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -60.32 -73.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.299999999999997 110.9 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.06 91.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 34.299999999999997 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -60.13 -176.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 111.069 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -84.9 -45.72 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.897 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -179.84 41.2 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 25.300000000000001 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.28 -53.0 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 74.299999999999997 110.932 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -60.36 -32.78 71.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.400000000000006 110.883 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.65 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.299999999999997 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -60.11 -48.41 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.400000000000006 110.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -60.18 -32.98 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 51.200000000000003 110.938 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -47.57 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.911 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG23 ' CD1' ' A' ' 44' ' ' PHE . 32.1 mt -71.29 -33.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -60.0 -41.41 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.85 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' THR . . . -71.09 -36.42 72.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -76.3 -37.27 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.200000000000003 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -64.9 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 54.100000000000001 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -80.53 -31.57 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.400000000000006 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.59 -47.93 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.399999999999999 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.8 -39.75 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.8 mt -60.57 -43.24 97.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.299999999999997 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.24 -47.85 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.200000000000003 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -69.28 -48.75 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 110.874 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 55.5 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.34 -45.39 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 72.200000000000003 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -72.38 -37.36 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.898 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.804 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.805 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.3 pttp -65.94 -28.09 68.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 75.099999999999994 110.86 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.11 -54.81 40.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 74.400000000000006 111.231 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -74.73 -36.76 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 73.400000000000006 111.194 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 22.9 mt -59.71 -35.49 74.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.867 -0.606 . . . . 72.099999999999994 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.91 -31.56 22.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.496 . . . . 52.5 111.024 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.852 0.358 . . . . 74.299999999999997 110.876 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 61.299999999999997 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 HG11 ' A' ' 47' ' ' VAL . 8.8 tp -72.21 -45.17 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 70.099999999999994 110.883 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -60.33 -31.6 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 44.399999999999999 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.656 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.48 -31.63 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -69.27 -36.81 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.299999999999997 111.114 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.56 -38.88 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 71.099999999999994 111.114 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.14 -45.67 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 13' ' ' LYS . 6.7 mt -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 61.299999999999997 110.904 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.51 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 111.097 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -61.23 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 53.399999999999999 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.43 -37.38 87.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 110.865 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -65.33 -47.61 75.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 62.399999999999999 111.083 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 54.100000000000001 111.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -83.0 -31.99 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.635 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.06 -43.38 74.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.462 -0.336 . . . . 71.099999999999994 110.904 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.776 ' OD1' HD21 ' A' ' 75' ' ' LEU . 1.4 t70 -69.96 -45.91 66.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.099999999999994 110.929 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -60.14 -31.86 70.48 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.721 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.72 -32.51 57.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.572 -0.285 . . . . 61.200000000000003 111.154 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.93 -28.57 2.13 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.604 -0.808 . . . . 52.0 112.805 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.04 109.91 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 54.5 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.477 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -99.6 -33.66 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.924 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.71 -53.23 35.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.93 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -45.13 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.778 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.23 -36.19 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 60.100000000000001 111.094 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.6 tp -60.31 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 65.400000000000006 110.89 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -32.08 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.200000000000003 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -76.45 -37.97 56.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.9 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.8 m-85 -60.5 -43.22 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.26 -43.91 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m170 -60.44 -42.49 96.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.23 93.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 111.141 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.9 t -66.84 -38.37 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 41.399999999999999 111.054 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.77 -49.51 77.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.5 m-85 -70.08 -39.78 75.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.200000000000003 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.13 -55.52 32.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.299999999999997 110.897 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.07 -32.91 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.98 -42.92 99.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 52' ' ' ALA . 20.3 t -61.26 -53.25 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 111.183 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -69.14 -36.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.400000000000006 111.09 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -32.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.38 -66.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 73.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -158.5 96.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -66.11 -169.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 111.081 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' NE2' HD22 ' A' ' 11' ' ' LEU . 24.2 mm-40 -90.75 -33.68 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.38 -177.57 46.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 45.200000000000003 112.511 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.98 -55.72 30.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.200000000000003 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -60.23 -30.97 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.400000000000006 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -59.66 -53.39 58.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -33.01 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.400000000000006 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -66.35 -48.01 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.200000000000003 110.869 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.44 -33.89 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.099999999999994 111.087 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -59.05 -46.65 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.85 -31.87 71.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.200000000000003 111.05 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -76.72 -41.21 46.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -61.92 -30.76 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.299999999999997 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.7 t -81.71 -31.34 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.099999999999994 110.92 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.62 -47.63 46.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.099999999999994 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.29 -43.24 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 73.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 65' ' ' CYS . 16.4 mt -60.26 -38.73 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 53.299999999999997 110.939 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.22 -46.54 89.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.099999999999994 110.935 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -70.58 -50.59 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 72.200000000000003 110.878 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.100000000000001 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 71.099999999999994 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -74.97 -32.45 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 74.5 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.776 HD21 ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -61.01 -51.83 67.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 62.299999999999997 110.845 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB3' HD21 ' A' ' 34' ' ' LEU . 9.6 pttt -69.44 -27.86 65.61 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.129 -0.487 . . . . 63.399999999999999 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.69 -54.44 41.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 63.299999999999997 111.044 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.477 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 5.3 p90 -70.49 -33.65 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 72.5 110.915 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 34' ' ' LEU . 58.9 mt -67.39 -35.09 78.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.41 -0.359 . . . . 73.5 110.869 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -42.34 31.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.757 -0.656 . . . . 65.099999999999994 110.993 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 74.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.03 -38.48 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -60.18 -41.52 93.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.697 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -72.02 -34.82 69.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.200000000000003 110.926 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.31 84.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.12 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.99 -31.11 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.45 -50.1 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD11 ' HD3' ' A' ' 13' ' ' LYS . 9.7 mt -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 110.926 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.200000000000003 111.089 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -61.44 -38.62 87.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -69.94 -44.9 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.5 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -62.7 -48.98 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 62.100000000000001 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.31 75.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 64.400000000000006 111.096 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.92 -31.49 31.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.104 0.478 . . . . 73.400000000000006 111.186 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.88 -46.6 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 73.400000000000006 110.849 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.24 -47.03 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -32.19 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 75.099999999999994 110.986 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.26 34.3 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.898 -0.592 . . . . 72.400000000000006 110.867 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.78 -29.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.901 -0.666 . . . . 52.200000000000003 112.624 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -73.22 112.21 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 63.299999999999997 110.888 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -102.87 -38.06 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.299999999999997 110.881 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.37 -56.26 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.04 -33.73 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.200000000000003 110.895 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -69.6 -36.23 76.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 42.100000000000001 111.097 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 75' ' ' LEU . 33.2 tp -60.2 -52.45 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.879 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -62.97 -31.52 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.0 mt -74.45 -38.44 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB1' ' A' ' 21' ' ' ALA . 15.7 m-85 -60.3 -44.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.299999999999997 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.74 -36.84 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.918 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.6 m170 -62.35 -44.44 96.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.04 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.400000000000006 111.12 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.0 t -63.18 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.299999999999997 111.077 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.03 -46.37 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 75.200000000000003 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 m-85 -71.89 -30.81 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.762 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 m-85 -71.18 -50.47 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 74.099999999999994 110.88 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.8 mp -60.19 -31.36 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 71.099999999999994 110.929 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -76.09 -43.25 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.044 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.828 HG22 HD12 ' A' ' 61' ' ' ILE . 29.3 t -62.82 -36.11 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 70.099999999999994 111.096 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -77.88 -45.36 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -67.56 -73.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 110.919 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.2 94.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . . . -62.84 -176.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 45.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -82.37 -49.61 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 44.5 110.895 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.55 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.87 -176.15 36.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 33.200000000000003 112.53 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.55 -49.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 61.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.27 -31.58 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.939 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -70.23 -44.5 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.200000000000003 111.084 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 18.5 mttm -59.8 -48.44 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.89 -33.09 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 54.399999999999999 110.934 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -62.97 -38.97 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.299999999999997 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG22 ' A' ' 48' ' ' VAL . 35.0 mt -69.75 -34.02 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.099999999999994 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -59.21 -46.19 89.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.903 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 66' ' ' THR . . . -66.66 -36.11 81.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 31.4 mtmt -75.98 -37.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.400000000000006 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.6 -31.63 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 50.299999999999997 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.2 t -82.35 -31.32 29.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.902 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -72.38 -47.49 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.1 m-85 -69.22 -42.04 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.924 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.16 -50.3 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.400000000000006 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -61.13 -47.39 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -62.12 -46.45 88.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.872 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -69.92 -37.11 75.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 111.1 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.22 -41.89 94.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -43.25 77.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 44.100000000000001 111.252 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.544 ' CB ' HD13 ' A' ' 34' ' ' LEU . 2.4 mp -58.47 -52.11 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 74.200000000000003 110.839 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -61.64 -27.98 69.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.17 50.1 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.106 -0.497 . . . . 62.100000000000001 111.096 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.488 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.3 p90 -81.89 -37.08 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 75.200000000000003 110.875 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 19.4 mt -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 70.299999999999997 110.93 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -31.86 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.996 -0.547 . . . . 71.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.999 -0.546 . . . . 64.299999999999997 110.744 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.841 0.353 . . . . 72.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 47' ' ' VAL . 7.4 tp -76.06 -37.83 57.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 52.299999999999997 110.977 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.38 -36.47 78.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.200000000000003 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttp -75.98 -35.56 59.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.5 110.889 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.52 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 111.094 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.51 -33.9 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.100000000000001 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.13 -50.0 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.299999999999997 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.777 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.4 mt -62.03 -37.9 86.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.400000000000006 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -44.24 94.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 70.400000000000006 111.094 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -68.88 -43.17 75.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 64.200000000000003 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -63.41 -41.79 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 50.299999999999997 110.906 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.95 -46.99 87.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.099999999999994 111.07 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 51.100000000000001 111.121 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -77.3 -32.27 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 43.100000000000001 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.25 -52.66 25.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.814 ' OD2' HD21 ' A' ' 75' ' ' LEU . 9.8 t70 -63.65 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.400000000000006 110.879 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -74.29 -28.47 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.935 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.49 23.6 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 54.200000000000003 111.342 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.48 -40.39 2.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 73.5 112.609 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -57.15 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.251 . . . . 74.400000000000006 111.3 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 2.5 m-85 -89.88 -43.53 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 72.5 110.89 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.34 -54.79 41.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 64.200000000000003 111.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.73 -31.95 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 74.400000000000006 110.911 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -70.66 -37.72 73.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 64.400000000000006 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 76' ' ' LYS . 53.6 tp -60.09 -44.39 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.82 -35.3 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 110.89 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.2 mt -74.89 -39.31 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 70.299999999999997 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.614 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.9 m-85 -60.51 -45.88 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.05 -38.56 91.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.955 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.28 -47.19 87.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.200000000000003 110.918 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -57.72 -45.21 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.158 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.9 t -63.5 -42.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.099999999999994 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -60.26 -45.2 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.785 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.0 m-85 -71.11 -31.71 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.879 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.5 m-85 -72.49 -49.85 30.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 41' ' ' VAL . 8.0 mp -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 60.299999999999997 110.861 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -69.88 -39.85 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.5 t -70.41 -54.26 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 61.299999999999997 111.113 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 61' ' ' ILE . 21.6 t -59.84 -41.9 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.5 111.109 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 50' ' ' TYR . 13.3 ttpp -66.29 -36.77 83.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 74.299999999999997 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' HE3' ' A' ' 49' ' ' LYS . 6.7 m-85 -82.46 -69.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.399999999999999 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -169.37 92.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.099999999999994 110.866 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -59.64 -169.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 55.299999999999997 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -74.75 -46.76 35.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.400000000000006 110.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.42 -103.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 74.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -125.6 -59.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 75.099999999999994 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.87 -31.86 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.19 93.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.200000000000003 111.047 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 29.5 mttt -60.09 -41.11 91.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.911 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.18 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.299999999999997 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -66.98 -36.18 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 48' ' ' VAL . 42.5 mt -71.97 -34.0 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 42.5 111.077 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -60.19 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 61.399999999999999 110.827 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 66' ' ' THR . . . -64.09 -33.76 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.200000000000003 111.083 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 52.1 mtmt -76.59 -39.39 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -30.33 68.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.399999999999999 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -84.08 -31.3 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 53.299999999999997 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.53 -47.54 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.903 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 16.4 m-85 -72.01 -38.3 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.299999999999997 110.954 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 17.2 mt -62.42 -48.65 78.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.925 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.15 -39.05 88.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.653 ' O ' HD13 ' A' ' 75' ' ' LEU . 15.8 ttt180 -73.86 -49.29 25.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.885 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.37 -41.53 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 62.5 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.24 -39.3 86.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -42.24 63.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 110.642 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.814 HD21 ' OD2' ' A' ' 25' ' ' ASP . 7.6 mp -58.14 -52.08 67.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 74.5 110.895 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.2 ptmt -64.3 -27.93 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.099999999999994 110.853 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -56.77 17.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.162 -0.472 . . . . 52.0 111.083 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 3.7 p90 -73.1 -35.88 66.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.471 -0.331 . . . . 75.400000000000006 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 64.7 mt -63.6 -31.14 72.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.091 -0.504 . . . . 73.400000000000006 110.99 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -79.61 -42.67 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 64.099999999999994 110.95 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 72.200000000000003 110.73 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 52.100000000000001 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.64 -35.13 60.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 34.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.21 -32.06 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -38.51 29.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.89 -39.87 86.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.299999999999997 111.114 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.14 -35.55 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 111.16 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.12 -40.55 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 53.399999999999999 110.859 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.5 mt -73.7 -36.52 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.200000000000003 110.906 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.27 91.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.200000000000003 111.076 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.15 -40.93 74.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.399999999999999 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.26 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 62.100000000000001 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -61.98 -50.48 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 33.299999999999997 111.052 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.66 73.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.200000000000003 111.126 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -78.95 -31.69 45.18 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.171 -0.468 . . . . 72.400000000000006 111.316 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.32 -50.41 53.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 70.0 110.948 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.51 -50.52 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 72.099999999999994 110.898 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -61.65 -31.43 71.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.81 69.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.201 0.525 . . . . 72.400000000000006 111.504 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.45 -31.66 2.02 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.566 -0.826 . . . . 44.200000000000003 112.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.34 116.9 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 71.5 111.056 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.478 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -102.24 -34.81 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.894 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -60.15 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 110.749 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.96 -35.52 78.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 61.200000000000003 110.929 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -67.41 -38.28 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 62.200000000000003 111.103 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.7 tp -60.28 -50.93 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.400000000000006 110.912 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.05 -31.57 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.1 mt -73.82 -41.65 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.912 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.9 m-85 -60.4 -34.36 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.91 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -72.62 -44.34 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.76 ' HB3' HD13 ' A' ' 17' ' ' LEU . 16.4 m170 -60.46 -43.93 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.200000000000003 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.04 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.7 t -66.25 -33.32 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 111.105 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -67.39 -47.12 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.099999999999994 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.617 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 67.4 m-85 -73.28 -37.89 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.89 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.51 -56.19 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 75.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.97 -31.56 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 41.5 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.100000000000001 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.4 t -74.09 -43.97 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.164 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -67.02 -36.11 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.099999999999994 111.048 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -42.87 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -74.91 -73.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.87 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 95.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.099999999999994 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.48 -176.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 111.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.67 -36.03 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 110.903 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.54 -175.6 47.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.099999999999994 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.32 -54.48 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.200000000000003 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.15 -31.53 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.28 -43.84 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.200000000000003 111.122 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 19.0 mttm -60.26 -48.29 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.18 -33.02 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -64.44 -45.1 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 48' ' ' VAL . 30.8 mt -71.9 -34.01 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 70.099999999999994 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -60.26 -42.18 94.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.099999999999994 110.863 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.6 -36.22 73.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 30.300000000000001 111.118 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -75.47 -39.89 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.200000000000003 110.929 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -31.11 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.5 110.914 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -81.78 -31.5 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.299999999999997 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.32 -47.74 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 110.865 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.44 -39.52 88.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 41' ' ' VAL . 14.8 mt -66.93 -31.88 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.200000000000003 110.881 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.9 -53.84 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 110.897 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -65.84 -45.54 81.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.943 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -61.27 -40.57 94.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 61.399999999999999 111.095 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.25 -42.11 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.888 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -70.76 -41.01 72.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 72.200000000000003 110.574 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -59.47 -51.52 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 52.200000000000003 110.769 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' HD21 ' A' ' 34' ' ' LEU . 19.4 pttt -62.85 -27.58 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 75.400000000000006 111.016 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.63 -54.07 51.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.5 110.968 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.478 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.0 p90 -81.44 -36.73 29.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.311 -0.404 . . . . 74.400000000000006 110.466 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 34' ' ' LEU . 17.9 mt -60.02 -33.38 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.889 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -86.09 -31.58 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.099999999999994 110.929 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.085 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 74.200000000000003 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.35 -40.1 45.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.871 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -79.25 -37.87 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -64.05 -40.7 96.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.148 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.8 mt -75.93 -34.88 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 51.399999999999999 111.145 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.2 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.2 mt -67.61 -37.61 82.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.847 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -33.96 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -79.87 -41.23 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 62.200000000000003 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.88 -45.87 66.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 52.399999999999999 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.05 -47.95 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 63.100000000000001 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.3 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 30.199999999999999 111.095 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -79.4 -35.11 41.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.207 -0.452 . . . . 70.299999999999997 111.366 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.45 -52.75 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 72.299999999999997 110.893 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.13 -47.32 86.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -62.44 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.06 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 73.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.63 -28.26 0.54 Allowed Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.561 -0.828 . . . . 42.100000000000001 112.431 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.31 121.91 22.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.339 . . . . 73.400000000000006 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.9 m-85 -108.23 -35.44 6.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.202 0.525 . . . . 65.299999999999997 111.114 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.97 -57.76 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 70.5 110.496 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 74.200000000000003 110.785 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.77 -40.49 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 51.5 111.082 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.546 HD22 HD12 ' A' ' 79' ' ' LEU . 42.6 tp -60.22 -43.7 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.099999999999994 110.888 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.94 -40.34 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.299999999999997 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 33' ' ' ALA . 7.1 mt -68.67 -38.22 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 62.100000000000001 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 13.3 m-85 -60.02 -46.22 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.299999999999997 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -60.21 -40.79 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.200000000000003 110.924 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 17' ' ' LEU . 24.8 m170 -63.49 -36.5 83.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 75.400000000000006 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 71.5 111.102 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.834 HG11 HD13 ' A' ' 69' ' ' LEU . 21.8 t -63.76 -36.05 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 111.09 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -64.31 -44.94 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 71.400000000000006 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.6 m-85 -74.34 -36.7 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 61' ' ' ILE . 11.0 m-85 -65.76 -48.85 70.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.400000000000006 110.937 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.82 -33.89 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -65.66 -31.69 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.399999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 43' ' ' TYR . 26.2 t -79.42 -51.99 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 63.5 111.077 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -64.21 -40.85 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 64.400000000000006 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -65.18 -43.36 91.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.299999999999997 110.924 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -73.16 -69.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.6 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -64.01 -178.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 111.088 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.57 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.946 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.587 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -149.68 -157.7 7.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 70.0 112.456 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -73.24 -58.22 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 73.200000000000003 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.33 -31.57 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 73.200000000000003 110.911 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.74 -45.86 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.76 -42.73 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.200000000000003 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.99 72.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -46.27 60.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 61.399999999999999 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 44' ' ' PHE . 34.3 mt -69.92 -34.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 54.5 111.076 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -59.49 -49.16 78.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 66' ' ' THR . . . -65.86 -32.42 73.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.200000000000003 111.114 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 38.3 mtmt -76.8 -41.43 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.200000000000003 110.939 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -59.81 -30.55 68.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.400000000000006 110.939 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -82.67 -31.68 28.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -69.25 -47.81 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.299999999999997 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.684 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 18.5 m-85 -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 73.400000000000006 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 HG11 ' A' ' 41' ' ' VAL . 1.9 tp -60.01 -41.51 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.931 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.91 -46.83 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.821 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.2 mmm-85 -63.88 -32.65 74.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.400000000000006 110.878 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.28 -40.54 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 35.399999999999999 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.98 -36.86 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.299999999999997 110.945 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -75.44 -39.05 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 71' ' ' ARG . 7.5 mp -62.73 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 70.299999999999997 110.886 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 34' ' ' LEU . 3.1 ptpt -64.96 -28.1 69.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.81 -51.22 70.94 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.361 -0.381 . . . . 61.5 110.99 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.461 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 2.8 p90 -84.23 -37.25 22.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.626 -0.261 . . . . 74.400000000000006 111.231 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 18.6 mt -60.06 -42.85 95.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.922 -0.581 . . . . 70.400000000000006 110.914 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -31.72 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 71.200000000000003 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 50.399999999999999 110.591 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 74.299999999999997 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.32 -44.63 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 65.299999999999997 110.926 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -60.28 -31.62 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.099999999999994 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -74.39 -31.64 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 64.099999999999994 110.885 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 43' ' ' TYR . . . -72.48 -36.66 68.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 70.5 111.117 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.61 -36.88 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 72.400000000000006 111.091 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.53 -45.41 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.868 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.1 mt -72.01 -37.51 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.58 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.400000000000006 111.108 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -46.28 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -67.67 -42.1 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.100000000000001 111.015 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.92 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 70.5 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.4 74.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 42.299999999999997 111.115 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -78.19 -35.42 48.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 111.025 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 6.7 mm-40 -60.38 -52.62 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.851 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.8 t0 -61.41 -47.43 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 65.200000000000003 110.858 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -61.09 -31.73 71.41 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.003 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.4 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 72.099999999999994 111.169 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.36 -28.97 1.5 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.402 -0.904 . . . . 75.400000000000006 112.482 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -71.86 117.86 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 65.200000000000003 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.06 -42.31 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.902 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 111.021 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.28 -42.29 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 51.299999999999997 110.917 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -63.06 -36.25 82.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.200000000000003 111.078 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 79' ' ' LEU . 58.9 tp -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.858 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.25 -35.17 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 64.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 17' ' ' LEU . 14.4 mt -72.17 -39.14 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 73.099999999999994 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.653 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.72 -51.05 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -37.85 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 52.5 110.951 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.739 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.7 m170 -60.59 -45.98 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.92 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -64.55 -45.73 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.57 -38.44 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.1 m-85 -75.29 -31.24 60.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 53.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.1 m-85 -77.8 -50.37 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 64.299999999999997 110.909 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.31 -31.59 72.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 53.399999999999999 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -67.55 -48.85 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.299999999999997 110.876 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.5 t -63.32 -48.96 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.299999999999997 111.072 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 44' ' ' PHE . 27.6 t -63.35 -36.11 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 44.299999999999997 111.039 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.58 -39.81 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.200000000000003 110.927 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -77.56 -73.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -161.61 94.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.299999999999997 110.875 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -66.28 -176.05 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 74.200000000000003 111.138 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.51 -39.08 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 178.12 43.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 62.399999999999999 112.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.19 -55.52 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 41.5 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -32.99 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 110.881 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.72 93.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 61.100000000000001 111.06 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.46 -46.31 90.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.400000000000006 110.925 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.97 -33.02 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 71.099999999999994 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -43.86 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.45 -33.99 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 63.299999999999997 111.047 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.099999999999994 110.903 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -27.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -78.97 -46.37 18.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.299999999999997 111.065 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -60.27 -33.08 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.949 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -79.3 -31.55 43.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.299999999999997 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.64 -48.32 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.54 -33.49 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 41' ' ' VAL . 14.4 mt -60.26 -44.62 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.895 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.1 -44.52 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 72.400000000000006 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -66.89 -47.5 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -32.89 73.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 62.200000000000003 111.069 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -60.41 -43.52 96.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -74.49 -39.19 62.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 111.204 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.5 -51.99 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 60.399999999999999 110.847 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB3' HD21 ' A' ' 34' ' ' LEU . 20.9 pttt -67.6 -27.89 67.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.877 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.5 -56.73 15.78 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.248 -0.433 . . . . 74.5 111.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.366 . . . . 73.200000000000003 110.637 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -62.07 -40.9 97.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.892 0.377 . . . . 73.5 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.27 -32.04 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.5 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 110.831 -179.64 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 72.400000000000006 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.14 -46.27 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.400000000000006 110.945 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -60.04 -35.09 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 73.400000000000006 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CE ' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -77.76 -31.35 51.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.73 -38.45 86.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 53.399999999999999 111.095 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -76.11 -33.6 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 53.5 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.24 -40.6 90.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.876 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.4 mt -74.0 -42.23 60.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.97 -44.37 94.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 53.299999999999997 111.11 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 54.399999999999999 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -71.12 -36.7 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.931 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.100000000000001 111.089 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.95 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 41.100000000000001 111.093 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -76.43 -31.96 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.399999999999999 110.793 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.0 -49.01 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.87 0.367 . . . . 71.200000000000003 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.53 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.399999999999999 110.879 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.51 -33.88 76.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.17 -0.468 . . . . 54.100000000000001 111.179 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.92 -47.28 66.15 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.895 -0.593 . . . . 72.099999999999994 111.109 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.39 -31.84 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.134 -0.555 . . . . 60.299999999999997 112.787 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -74.26 117.16 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 64.299999999999997 110.844 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.87 -39.14 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.35 -54.97 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 61.5 111.058 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.2 -36.0 80.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 73.5 110.687 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.55 -38.82 92.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.200000000000003 111.123 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 72' ' ' ALA . 45.8 tp -60.24 -48.07 83.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.299999999999997 110.919 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -35.44 75.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.5 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 33' ' ' ALA . 6.5 mt -76.91 -38.63 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 73.400000000000006 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.683 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.6 m-85 -60.31 -43.62 96.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 74.299999999999997 110.929 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.72 -42.15 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.595 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.34 -44.2 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.1 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 34.100000000000001 111.116 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.02 -32.15 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.7 -45.28 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 70.5 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.559 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 72.6 m-85 -75.34 -32.55 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.400000000000006 110.872 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.728 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.0 m-85 -67.65 -38.84 84.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 73.400000000000006 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.7 -30.87 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.099999999999994 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -63.1 -55.64 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.004 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 48' ' ' VAL . 11.1 p -59.54 -43.61 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 111.131 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.781 HG22 HD12 ' A' ' 61' ' ' ILE . 35.9 t -69.74 -40.76 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.099999999999994 111.07 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE2' ' CD1' ' A' ' 50' ' ' TYR . 4.0 ttpt -69.63 -42.78 73.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' HE2' ' A' ' 49' ' ' LYS . 7.4 m-85 -72.67 -71.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.099999999999994 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.75 92.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 110.894 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -59.85 -176.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.299999999999997 111.142 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.97 -41.48 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.099999999999994 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.3 -176.9 39.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.485 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.52 -55.11 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 74.200000000000003 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -62.48 -32.91 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.04 -46.47 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 54.399999999999999 111.089 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 57.2 mttt -60.31 -42.49 95.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.200000000000003 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.34 -33.01 71.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 60.299999999999997 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -43.39 71.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -69.76 -33.98 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.299999999999997 111.097 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -60.68 -46.78 89.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.13 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 65.400000000000006 111.114 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 11.9 mtmt -73.28 -43.26 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 70.299999999999997 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.567 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.6 m -60.03 -30.79 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.878 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 t -85.32 -31.69 22.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.859 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -69.25 -47.87 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 65.200000000000003 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.621 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 17.3 m-85 -71.49 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.941 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.1 mt -60.27 -44.78 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.299999999999997 110.876 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.64 -39.57 94.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 75' ' ' LEU . 9.4 tpt180 -72.19 -49.92 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.06 -38.79 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 64.400000000000006 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.17 -40.09 88.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 62.200000000000003 110.937 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.17 -41.28 70.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 71' ' ' ARG . 6.3 mp -59.14 -52.04 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.099999999999994 110.834 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.3 ptmt -62.82 -27.87 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.753 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.59 -52.6 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 72.099999999999994 111.043 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 3.6 p90 -83.84 -33.41 24.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 110.778 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 78' ' ' TYR . 23.6 mt -65.97 -36.83 84.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.894 0.378 . . . . 74.200000000000003 110.752 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -31.31 28.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 70.099999999999994 110.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.497 -0.319 . . . . 55.399999999999999 110.922 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 74.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.661 HD13 HG11 ' A' ' 47' ' ' VAL . 6.8 tp -71.18 -39.07 72.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.26 -33.88 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.888 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.681 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -78.84 -36.07 43.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.913 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.53 79.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 65.099999999999994 111.09 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.37 -38.85 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.29 -45.02 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.099999999999994 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -62.52 -42.88 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 75.299999999999997 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -46.83 88.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 43.299999999999997 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -48.2 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 64.200000000000003 110.857 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.4 -42.73 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.200000000000003 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -60.2 -45.1 94.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.58 70.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.299999999999997 111.04 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -78.98 -36.57 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 71.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.52 -52.72 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.099999999999994 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.685 ' OD2' HD21 ' A' ' 75' ' ' LEU . 10.1 t70 -64.89 -44.89 88.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.881 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -63.5 -31.83 73.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.400000000000006 110.942 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.17 -43.38 34.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.438 . . . . 75.400000000000006 111.447 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.44 -29.85 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.054 -0.593 . . . . 71.400000000000006 112.812 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -74.33 112.73 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 73.200000000000003 110.801 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -98.86 -36.69 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.868 0.366 . . . . 75.099999999999994 111.081 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.69 -53.31 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.100000000000001 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -36.65 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 60.200000000000003 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.18 -38.47 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 60.399999999999999 111.067 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.634 HD12 ' HB1' ' A' ' 72' ' ' ALA . 46.6 tp -60.27 -49.23 78.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.299999999999997 110.909 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.299999999999997 110.881 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 mt -74.65 -40.23 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 54.299999999999997 110.924 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.52 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 17.3 m-85 -60.39 -49.81 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.893 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.6 -38.89 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 54.100000000000001 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.9 m170 -60.29 -44.64 95.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.85 -46.89 87.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.299999999999997 111.079 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -61.17 -35.08 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.36 -49.75 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.883 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 47' ' ' VAL . 66.6 m-85 -72.56 -36.45 68.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 73.200000000000003 110.887 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CE2' ' HB1' ' A' ' 40' ' ' ALA . 5.6 m-85 -61.19 -56.29 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.883 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.71 -31.58 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -60.28 -37.79 81.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.661 HG11 HD13 ' A' ' 11' ' ' LEU . 21.4 t -74.36 -34.1 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 60.399999999999999 111.152 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.6 t -77.15 -36.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 54.200000000000003 111.09 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -31.66 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.400000000000006 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.56 -72.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.099999999999994 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -162.47 97.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 70.099999999999994 110.895 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -72.23 -169.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 71.099999999999994 111.11 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -89.44 -36.25 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 54.100000000000001 110.884 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.76 -173.97 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.5 112.53 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.36 -55.98 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 62.299999999999997 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -59.97 -30.96 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.400000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.11 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.5 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 31.1 mttt -60.08 -52.57 64.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -33.05 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 110.904 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -63.47 -44.64 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 53.399999999999999 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.05 -33.99 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.299999999999997 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.57 93.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.924 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.47 -33.52 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -76.27 -42.08 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.94 -31.0 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.099999999999994 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.1 t -81.87 -31.48 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 52.299999999999997 110.89 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.33 -47.63 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.41 -36.42 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.099999999999994 110.94 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.26 -37.28 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.400000000000006 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.45 -43.07 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 75' ' ' LEU . 24.5 ttt180 -67.45 -51.78 47.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.939 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.93 -41.82 92.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 111.109 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -34.42 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -72.38 -42.36 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.928 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.685 HD21 ' OD2' ' A' ' 25' ' ' ASP . 8.9 mp -59.25 -52.02 67.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.099999999999994 110.916 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HB3' HD21 ' A' ' 34' ' ' LEU . 15.1 pttt -63.15 -27.89 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.65 -56.92 15.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.4 p90 -76.37 -37.8 56.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.197 0.523 . . . . 65.200000000000003 110.875 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 27.1 mt -58.8 -31.12 68.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.016 -0.538 . . . . 73.299999999999997 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -79.86 -42.91 23.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.341 . . . . 73.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 120.936 0.398 . . . . 72.400000000000006 110.885 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 70.099999999999994 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' HB2' HG21 ' A' ' 47' ' ' VAL . 11.0 tp -69.49 -35.92 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.54 -49.32 78.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.75 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 110.861 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.43 -44.24 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 24.399999999999999 111.088 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.89 -33.5 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 55.399999999999999 111.06 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.92 -49.57 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.299999999999997 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.75 HD11 ' HD3' ' A' ' 13' ' ' LYS . 14.7 mt -61.23 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 70.299999999999997 111.093 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m -61.64 -44.0 97.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.299999999999997 110.896 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -70.62 -39.16 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 64.200000000000003 110.956 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.14 -47.49 85.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 111.101 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.85 89.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 63.399999999999999 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -74.36 -31.49 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.106 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.66 -38.7 77.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.400000000000006 110.889 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.04 -51.04 27.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.200000000000003 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.299999999999997 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.3 72.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 71.5 111.234 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.38 -28.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.973 -0.632 . . . . 51.200000000000003 112.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.26 115.5 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 62.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.64 -36.04 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.299999999999997 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -64.51 -55.49 20.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.224 -0.443 . . . . 62.200000000000003 111.096 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -41.91 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 75.099999999999994 110.955 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -62.35 -36.24 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 44.100000000000001 111.082 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 76' ' ' LYS . 55.0 tp -60.29 -50.2 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.939 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -62.57 -31.59 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 74.400000000000006 110.863 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 33' ' ' ALA . 16.0 mt -76.08 -37.2 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.663 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.2 m-85 -60.64 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.299999999999997 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.38 -40.64 85.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 44.299999999999997 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.7 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 m170 -60.55 -44.91 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.91 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.63 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.400000000000006 111.073 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -66.26 -35.95 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 111.067 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.42 -47.86 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.3 m-85 -72.6 -38.24 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 73.200000000000003 110.91 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.21 -55.04 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 70.400000000000006 110.941 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.65 -31.18 70.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -60.54 -38.47 84.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.7 t -77.03 -34.17 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 111.136 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -77.42 -36.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.099999999999994 111.172 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -45.85 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.37 -73.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -168.09 96.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -60.07 -171.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 64.099999999999994 111.109 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -93.96 -31.32 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.38 170.93 40.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 53.200000000000003 112.512 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.01 -52.18 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 64.099999999999994 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -61.22 -31.61 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 54.200000000000003 110.925 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.73 -40.67 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.548 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 62.8 mttt -60.41 -49.57 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.299999999999997 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -60.33 -33.01 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -65.77 -42.6 90.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.895 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 48' ' ' VAL . 25.5 mt -72.31 -34.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 111.037 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -59.68 -49.11 79.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.299999999999997 110.867 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.03 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 111.064 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -76.12 -43.22 44.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.912 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.28 -30.92 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 65.099999999999994 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -82.66 -31.57 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.842 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.33 -48.35 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.400000000000006 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.43 -37.67 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.27 -44.44 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.099999999999994 110.948 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.95 -37.07 85.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 65.099999999999994 110.921 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -68.02 -43.75 78.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -76.1 -31.18 58.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.92 -47.21 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.901 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -73.81 -37.14 65.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.35 -51.99 67.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.922 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 ptmt -67.85 -27.67 66.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.619 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.45 -57.2 12.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.099999999999994 111.142 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 6.2 p90 -67.28 -36.24 81.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.165 -0.471 . . . . 70.200000000000003 110.728 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.6 mt -62.75 -40.92 98.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.254 -0.43 . . . . 61.399999999999999 110.945 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -75.96 -32.22 59.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.919 -0.582 . . . . 73.5 110.976 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.239 0.501 0 CA-C-N 115.851 -0.613 . . . . 74.299999999999997 110.679 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 61.200000000000003 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.95 -43.67 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -59.46 -38.99 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 63.100000000000001 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.8 tttp -73.93 -31.64 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 110.889 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -64.46 -37.41 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 42.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.6 -32.36 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.099999999999994 111.111 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.57 -44.75 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.643 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -63.34 -45.7 90.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.74 91.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 54.299999999999997 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 m -60.3 -43.43 96.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 62.299999999999997 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -73.67 -31.61 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.299999999999997 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -70.01 -47.44 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.200000000000003 111.148 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.88 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.299999999999997 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.06 -32.01 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 110.673 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.24 -52.46 33.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.421 -0.354 . . . . 75.200000000000003 110.91 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.71 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.27 -32.08 70.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.163 0.506 . . . . 73.5 111.005 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.77 43.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 72.299999999999997 111.004 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.16 -28.71 0.58 Allowed Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.738 -0.744 . . . . 43.200000000000003 112.573 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -73.81 112.16 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 73.099999999999994 110.927 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.95 -41.62 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 110.939 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -56.84 16.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.764 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.87 -34.6 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.23 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.400000000000006 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 76' ' ' LYS . 36.7 tp -60.35 -52.31 65.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.915 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.78 -33.8 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 64.299999999999997 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 27.1 mt -72.29 -39.83 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 54.299999999999997 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.9 m-85 -60.31 -46.92 88.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 110.897 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -61.24 -39.33 89.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.903 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.89 -46.76 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.099999999999994 110.845 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.91 -42.52 94.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 61.200000000000003 111.115 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -64.15 -32.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 62.5 111.082 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -67.84 -48.56 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 47' ' ' VAL . 69.7 m-85 -73.3 -37.03 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.915 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m-85 -60.38 -46.89 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.914 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.72 -31.65 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -60.49 -36.46 78.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 61.299999999999997 110.871 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -74.98 -44.8 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -65.53 -36.17 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 64.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -74.72 -37.62 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.5 110.904 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -80.91 -67.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -171.96 99.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.299999999999997 110.922 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -74.77 -176.28 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.099999999999994 111.106 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.596 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -170.81 -161.64 21.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 74.299999999999997 112.504 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.43 -56.93 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 62.5 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -60.36 -31.6 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 63.299999999999997 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -64.48 -45.67 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.091 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -60.24 -43.37 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.400000000000006 110.864 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.58 -32.99 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 110.932 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -40.09 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.399999999999999 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 48' ' ' VAL . 38.4 mt -73.91 -33.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 73.200000000000003 111.128 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -60.26 -45.73 92.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.889 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.14 -35.11 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.059 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -73.96 -43.38 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.099999999999994 110.914 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 -31.36 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.9 t -84.58 -31.6 24.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.04 -48.13 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.0 -42.98 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.894 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 41' ' ' VAL . 16.5 mt -60.32 -31.92 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 70.5 110.92 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.49 -50.13 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -64.73 -50.77 65.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -60.0 -38.2 81.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 62.399999999999999 111.097 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.58 -48.57 81.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.949 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -35.03 68.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.189 -0.459 . . . . 65.299999999999997 111.125 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.33 -52.06 67.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 54.399999999999999 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.3 ptmm? -67.73 -27.73 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 75.400000000000006 110.693 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -57.09 12.79 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.859 0.362 . . . . 61.200000000000003 111.103 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.2 p90 -67.22 -36.07 80.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 71.200000000000003 111.024 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 70.4 mt -62.89 -32.68 73.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.308 -0.406 . . . . 73.299999999999997 110.919 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -86.22 -31.44 21.71 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 115.806 -0.634 . . . . 75.400000000000006 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.9 -0.591 . . . . 74.5 110.67 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 74.299999999999997 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -72.95 -37.89 66.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 65.200000000000003 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -74.8 -39.76 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.099999999999994 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.4 -39.19 86.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 111.12 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.52 -36.33 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 71.200000000000003 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.6 mt -73.98 -38.5 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.099999999999994 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.504 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.28 -38.35 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 111.139 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -74.19 -48.14 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.100000000000001 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -65.24 -45.32 85.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.063 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -59.94 -47.25 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 72.299999999999997 111.102 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.07 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 111.074 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -79.11 -32.39 44.56 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.168 -0.469 . . . . 62.399999999999999 111.068 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.17 -52.64 46.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 65.400000000000006 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.94 -45.08 96.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -65.48 -31.97 73.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 110.787 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.85 46.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.159 0.504 . . . . 61.200000000000003 111.292 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.79 -30.63 0.4 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.387 -0.911 . . . . 52.299999999999997 112.283 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -73.99 113.81 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.673 -0.31 . . . . 74.299999999999997 111.22 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -101.42 -41.37 6.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.819 0.342 . . . . 74.5 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -61.68 -52.91 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 111.235 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -40.54 95.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.404 -0.362 . . . . 53.5 110.92 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -64.15 -36.18 83.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.105 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 76' ' ' LYS . 62.8 tp -60.34 -48.74 80.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 62.5 110.865 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.07 -33.02 73.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 52.299999999999997 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 33' ' ' ALA . 9.9 mt -74.88 -39.35 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 63.299999999999997 110.901 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -60.37 -35.57 76.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -71.05 -44.86 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.675 ' HB3' HD13 ' A' ' 17' ' ' LEU . 13.7 m170 -60.32 -41.8 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.299999999999997 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -44.12 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 55.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.3 t -68.3 -33.67 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.076 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.74 -47.21 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.299999999999997 110.887 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.4 m-85 -70.43 -37.56 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.200000000000003 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 5.2 m-85 -63.39 -55.06 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.29 -31.94 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.931 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -62.63 -35.4 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.5 110.934 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.7 t -75.36 -46.3 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.400000000000006 111.026 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.53 -36.18 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 52.399999999999999 111.087 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -72.08 -44.87 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.41 -69.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -169.22 94.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 62.399999999999999 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -70.19 178.46 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.131 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.76 -67.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.926 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -142.7 -176.61 16.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 72.200000000000003 112.466 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.9 -51.3 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 75.099999999999994 110.877 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.61 -31.57 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.885 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -66.07 -42.66 89.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 111.098 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -60.47 -47.94 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.200000000000003 110.94 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -36.86 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.400000000000006 110.864 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -65.07 -45.59 84.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 74.200000000000003 110.932 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -69.22 -33.97 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 75.200000000000003 111.057 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -58.82 -40.22 83.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.32 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 111.043 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -75.16 -42.73 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.400000000000006 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.399999999999999 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -81.77 -31.5 31.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 55.299999999999997 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -71.43 -48.03 52.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 64.200000000000003 110.897 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 28.4 m-85 -68.09 -37.61 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.29 -41.73 93.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.06 -41.07 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.400000000000006 110.931 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -68.0 -39.15 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 65.400000000000006 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -76.85 -34.13 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 111.103 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.29 -45.62 92.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -71.29 -38.32 71.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 72.200000000000003 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.8 -51.87 68.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 71.400000000000006 110.824 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.58 -28.2 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.400000000000006 110.901 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -53.85 -57.15 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.031 -0.532 . . . . 74.5 111.329 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.8 p90 -67.94 -34.56 76.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.0 0.428 . . . . 64.099999999999994 110.681 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 68.2 mt -65.7 -34.96 79.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 73.5 110.929 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -78.63 -33.62 47.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.871 -0.604 . . . . 71.299999999999997 111.175 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.966 -0.561 . . . . 64.299999999999997 111.048 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 74.299999999999997 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.5 -47.49 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 65.200000000000003 110.95 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.29 -33.49 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.936 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 17' ' ' LEU . 28.9 tptt -69.83 -31.66 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.099999999999994 110.873 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.9 -40.16 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.400000000000006 111.09 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.19 -41.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.200000000000003 111.081 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -46.68 89.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.200000000000003 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.1 mt -71.14 -33.48 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.65 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.099999999999994 111.107 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.01 -45.82 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.100000000000001 110.937 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -65.82 -37.99 87.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -64.29 -46.13 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 72.299999999999997 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.400000000000006 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.32 -34.65 36.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 62.399999999999999 110.776 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 13.5 mm-40 -64.86 -47.74 76.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.29 -0.414 . . . . 65.400000000000006 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.51 -43.69 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.95 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -68.48 -32.07 71.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 73.099999999999994 110.709 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.19 -44.67 45.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.613 -0.267 . . . . 61.200000000000003 110.991 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.3 -33.21 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.365 -0.921 . . . . 52.299999999999997 112.047 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -74.06 118.67 17.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.73 0.3 . . . . 74.299999999999997 110.839 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -105.66 -36.51 7.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 74.5 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.24 -53.73 54.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.806 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.29 -33.72 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 53.5 110.737 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -70.03 -37.07 75.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.5 111.108 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.3 tp -60.44 -52.38 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.6 -31.7 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 52.299999999999997 110.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD23 ' A' ' 17' ' ' LEU . 21.8 mt -73.99 -37.71 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 63.299999999999997 110.915 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.7 m-85 -60.4 -43.53 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.81 -38.5 86.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -61.18 -45.11 95.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 61.299999999999997 110.892 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.44 -40.16 85.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 55.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.1 t -71.94 -32.07 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 111.069 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -43.35 87.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 61.299999999999997 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.3 m-85 -75.32 -38.57 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.200000000000003 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.1 m-85 -60.25 -51.29 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.857 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.35 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -60.78 -37.29 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -74.54 -48.85 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.400000000000006 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.693 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -59.96 -37.28 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 52.399999999999999 111.11 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -73.93 -46.58 43.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.5 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -71.74 -73.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 63.0 110.914 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -159.22 96.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 62.399999999999999 110.93 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -69.79 -177.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 44.5 111.131 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -81.8 -44.3 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 75.099999999999994 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.98 -176.46 39.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 72.200000000000003 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -60.16 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 75.099999999999994 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -60.25 -31.63 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.299999999999997 110.905 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -63.37 -44.58 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 111.09 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 23.4 mttt -60.18 -43.01 96.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.939 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.400000000000006 110.905 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -39.72 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.693 HD12 HG22 ' A' ' 48' ' ' VAL . 30.4 mt -72.54 -34.03 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.200000000000003 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -60.32 -44.29 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 74.200000000000003 110.857 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.38 -35.46 75.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.099999999999994 111.072 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -74.57 -42.76 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.400000000000006 110.85 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.17 -31.51 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 50.399999999999999 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.83 -31.59 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 55.299999999999997 110.941 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -50.72 65.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 64.200000000000003 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -69.61 -38.93 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.299999999999997 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.36 -39.97 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.73 -40.86 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -69.51 -51.15 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 65.400000000000006 110.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -64.63 -34.15 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 111.096 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -72.16 -37.66 69.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.993 -0.548 . . . . 72.200000000000003 110.97 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -52.04 67.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 71.400000000000006 110.956 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 34' ' ' LEU . 28.7 pttt -65.66 -27.94 68.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.99 -55.56 31.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.049 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -74.83 -36.87 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 64.099999999999994 110.771 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.439 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 21.3 mt -60.15 -36.63 77.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 73.5 111.066 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -32.66 38.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.81 -0.632 . . . . 71.299999999999997 111.086 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.501 -0.318 . . . . 64.299999999999997 110.797 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 47' ' ' VAL . 17.8 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.801 0.334 . . . . 75.400000000000006 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.25 -44.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.099999999999994 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.41 -31.61 70.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 17' ' ' LEU . 14.2 tptt -73.62 -35.02 65.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 73.299999999999997 110.929 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -68.35 -36.5 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.200000000000003 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.8 -42.19 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.400000000000006 111.159 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 62.100000000000001 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 13' ' ' LYS . 7.3 mt -73.17 -33.52 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 71.200000000000003 110.941 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.1 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 71.299999999999997 111.095 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.5 m -60.41 -48.11 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 74.299999999999997 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -60.45 -40.91 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.099999999999994 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.96 -48.24 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 52.5 111.123 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.89 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 54.200000000000003 111.115 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -34.26 47.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.143 -0.48 . . . . 55.299999999999997 111.157 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 20.9 mm-40 -64.25 -51.27 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.493 . . . . 54.299999999999997 110.905 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.36 -50.98 71.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 63.399999999999999 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -61.58 -32.18 72.27 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.151 -0.477 . . . . 65.400000000000006 110.888 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.82 62.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 72.5 111.049 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.73 -28.43 2.53 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.706 -0.759 . . . . 50.100000000000001 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.02 107.82 7.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 61.200000000000003 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -95.2 -40.76 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.399999999999999 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -54.53 45.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.299999999999997 111.053 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -39.98 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.7 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.48 -36.22 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 63.200000000000003 111.092 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 76' ' ' LYS . 34.8 tp -60.29 -50.49 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 110.857 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.97 -31.65 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.099999999999994 110.938 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' HD23 ' A' ' 17' ' ' LEU . 17.9 mt -73.23 -39.57 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 72.400000000000006 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.686 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.8 m-85 -60.31 -42.67 96.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.41 -40.87 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 55.399999999999999 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.69 -44.36 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.399999999999999 110.9 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.83 -41.85 92.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.8 -34.84 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 52.100000000000001 111.076 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.26 -49.04 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.200000000000003 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.2 m-85 -70.42 -38.55 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.400000000000006 110.951 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' HG23 ' A' ' 61' ' ' ILE . 5.1 m-85 -60.33 -56.96 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.400000000000006 110.919 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.33 -31.58 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.200000000000003 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.401 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 59.0 t-80 -60.36 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.74 -42.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.099999999999994 111.169 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.44 -42.57 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -38.35 77.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.914 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 46' ' ' HIS . 4.9 m-85 -81.14 -68.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 110.946 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -168.16 101.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.400000000000006 110.92 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.56 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -76.77 -176.16 3.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 43.5 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -78.03 -53.71 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 54.200000000000003 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.578 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.57 -173.86 34.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 50.299999999999997 112.499 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -54.91 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 75.200000000000003 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -60.37 -34.07 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.5 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.578 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -67.18 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.299999999999997 111.083 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 40.9 mttt -60.3 -44.87 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.299999999999997 110.93 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -60.38 -32.94 71.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.299999999999997 110.911 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.2 t -67.97 -44.2 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 74.200000000000003 110.939 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 44' ' ' PHE . 29.8 mt -72.57 -33.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -60.41 -43.76 96.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.400000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.31 -36.28 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 63.299999999999997 111.138 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -74.4 -42.74 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.299999999999997 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.14 -31.15 69.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.200000000000003 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -83.43 -31.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 65.099999999999994 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.94 -47.72 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.05 -41.33 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.400000000000006 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.32 -36.25 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.099999999999994 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.73 -37.83 64.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.099999999999994 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -72.28 -34.29 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -80.65 -34.01 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.099999999999994 111.115 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.1 -44.96 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 73.099999999999994 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -37.14 64.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 73.099999999999994 110.722 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.16 -52.3 66.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 61.299999999999997 110.859 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB3' HD21 ' A' ' 34' ' ' LEU . 8.2 pttp -67.69 -27.97 67.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.035 -0.529 . . . . 74.299999999999997 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.01 -57.15 12.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 75.400000000000006 111.241 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.6 p90 -67.51 -36.15 80.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 71.5 110.836 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.449 HD12 HD22 ' A' ' 34' ' ' LEU . 66.0 mt -63.2 -35.34 79.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.083 -0.508 . . . . 71.299999999999997 111.031 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -80.02 -31.19 39.64 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.0 -0.545 . . . . 71.299999999999997 110.955 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.32 . . . . 52.100000000000001 110.668 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 72.099999999999994 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.3 -49.42 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.299999999999997 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -60.31 -31.56 70.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HG3' HD12 ' A' ' 17' ' ' LEU . 13.2 tptm -73.46 -31.59 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.400000000000006 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -73.33 -36.54 66.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.099999999999994 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.73 -41.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.24 -46.2 91.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.400000000000006 110.941 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.7 mt -71.25 -34.39 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 63.399999999999999 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.49 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.5 111.119 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -41.4 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.400000000000006 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -32.39 72.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 62.299999999999997 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -68.7 -47.53 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 111.086 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -33.92 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.299999999999997 111.128 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.11 -31.7 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.400000000000006 111.035 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.63 -50.03 54.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 61.200000000000003 110.876 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.61 -38.07 86.21 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.299999999999997 110.722 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.71 -43.43 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.200000000000003 111.02 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.69 -31.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.762 -0.732 . . . . 52.299999999999997 112.446 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -69.62 115.62 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 63.299999999999997 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.476 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.05 -39.48 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 61.200000000000003 110.934 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.23 -47.32 86.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.182 -0.463 . . . . 60.100000000000001 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.2 tp10 -71.35 -34.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 70.299999999999997 110.605 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.77 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 54.100000000000001 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 76' ' ' LYS . 60.3 tp -60.3 -55.22 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 53.299999999999997 110.926 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.29 -31.62 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.400000000000006 110.936 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 22.5 mt -73.12 -38.86 66.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.400000000000006 110.922 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 17.5 m-85 -60.32 -37.76 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.887 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.77 -39.85 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 73.099999999999994 110.901 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.57 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.96 -43.94 98.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.299999999999997 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -45.54 92.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.299999999999997 111.096 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -64.51 -35.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 53.399999999999999 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.099999999999994 110.864 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.607 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 61.9 m-85 -71.94 -37.19 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.861 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 4.2 m-85 -60.35 -55.88 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 60.100000000000001 110.854 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.1 mt -60.47 -31.56 70.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 53.200000000000003 110.9 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -61.29 -35.8 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.299999999999997 110.928 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -75.63 -52.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 54.5 111.103 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -59.94 -36.13 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.099999999999994 111.101 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 5.5 ttpt -74.25 -39.47 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' CE1' ' HE2' ' A' ' 49' ' ' LYS . 4.7 m-85 -80.93 -73.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.200000000000003 110.913 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.2 97.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.587 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.45 -176.12 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.299999999999997 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.29 -49.57 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.565 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.5 -171.22 36.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 64.299999999999997 112.505 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -60.37 -53.23 60.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 73.099999999999994 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -60.36 -31.54 70.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 73.400000000000006 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -74.22 -45.43 48.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 63.5 111.054 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 37.5 mttm -60.31 -51.34 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -60.35 -32.96 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.5 110.895 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -65.87 -45.45 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.400000000000006 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.33 -34.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.043 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -59.52 -49.54 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.52 -31.18 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 53.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -75.8 -43.22 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -60.16 -31.0 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.299999999999997 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -82.94 -31.57 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.299999999999997 110.917 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -71.15 -48.16 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.299999999999997 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -66.65 -42.89 85.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.400000000000006 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' A' ' 41' ' ' VAL . 14.2 mt -60.44 -34.51 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.894 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.09 -42.55 89.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.400000000000006 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -74.46 -35.56 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.099999999999994 110.934 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -77.67 -37.33 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 60.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.3 -47.09 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.200000000000003 110.898 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -71.37 -34.65 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 54.299999999999997 110.748 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -61.42 -52.1 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.4 -0.364 . . . . 74.299999999999997 110.823 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.673 ' HB3' HD21 ' A' ' 34' ' ' LEU . 11.2 pttt -67.58 -27.96 67.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 71.400000000000006 110.922 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -53.52 56.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.427 . . . . 74.400000000000006 110.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.2 p90 -76.16 -36.98 58.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 75.299999999999997 110.752 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 34' ' ' LEU . 18.0 mt -59.67 -43.47 93.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 73.400000000000006 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 71.400000000000006 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 73.099999999999994 111.147 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.849 0.357 . . . . 73.299999999999997 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -73.89 -36.68 64.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.37 -45.18 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 73.400000000000006 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -68.27 -33.91 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.299999999999997 110.957 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.37 -39.33 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.400000000000006 111.089 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.77 -31.23 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 55.100000000000001 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.26 -44.84 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.200000000000003 110.898 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 11.5 mt -68.4 -41.06 81.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.400000000000006 110.885 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.5 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 70.099999999999994 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -63.32 -39.2 93.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 44.299999999999997 110.912 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -73.27 -33.78 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 70.299999999999997 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.77 -49.75 60.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.14 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 70.099999999999994 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.85 -31.44 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.5 111.156 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.49 -52.71 29.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 74.400000000000006 110.889 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD1' HD21 ' A' ' 75' ' ' LEU . 11.8 t70 -63.38 -40.57 97.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 63.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.68 -32.27 73.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.099999999999994 111.032 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.61 -30.86 52.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.945 -0.57 . . . . 63.5 111.116 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.25 -28.56 1.95 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 54.5 112.745 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.78 105.09 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.400000000000006 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.523 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -95.31 -41.14 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.200000000000003 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.41 -58.14 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 70.5 110.819 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.6 -33.86 73.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 75.400000000000006 110.788 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.14 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.399999999999999 111.158 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 76' ' ' LYS . 39.2 tp -60.4 -49.79 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 63.5 110.914 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.29 -33.08 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.099999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.84 -38.16 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.200000000000003 110.901 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.2 m-85 -60.37 -38.19 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.299999999999997 110.907 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.757 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.8 m170 -60.35 -45.42 93.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.100000000000001 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.5 94.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 64.400000000000006 111.064 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.1 t -66.0 -33.4 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.095 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.1 m-85 -72.29 -37.67 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 71.299999999999997 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.28 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.099999999999994 110.912 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.38 -31.81 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -62.91 -39.15 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.899 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -73.39 -43.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.099999999999994 111.043 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.668 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -68.33 -36.99 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 51.399999999999999 111.119 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -31.73 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.400000000000006 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -87.11 -71.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.883 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.86 95.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 110.934 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.9 -176.21 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 65.099999999999994 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -74.34 -49.45 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.5 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.6 -172.26 36.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 65.099999999999994 112.572 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.53 -54.05 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 75.400000000000006 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.3 -35.19 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 52.200000000000003 110.879 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.52 -45.53 83.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.299999999999997 111.086 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -60.14 -43.6 95.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 65.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -60.32 -32.99 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 54.299999999999997 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -39.93 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 60.200000000000003 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 48' ' ' VAL . 39.2 mt -74.0 -34.04 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.299999999999997 111.075 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -60.29 -46.94 88.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.39 -34.53 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -74.23 -43.14 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.099999999999994 110.969 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.9 m -60.07 -31.12 69.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.0 t -83.96 -31.53 25.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 62.100000000000001 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.41 -47.97 65.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 61.399999999999999 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.57 -41.51 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.299999999999997 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 65' ' ' CYS . 14.6 mt -60.35 -38.77 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 110.902 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.68 -41.06 75.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.923 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -70.49 -48.16 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.099999999999994 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -63.67 -35.68 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 111.094 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.97 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 72.400000000000006 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -68.62 -36.5 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.5 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -62.91 -52.07 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.399999999999999 110.806 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.65 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 pttp -64.66 -27.73 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.744 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.96 -52.33 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.729 0.299 . . . . 72.400000000000006 110.85 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.0 p90 -83.11 -37.19 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.261 0.553 . . . . 74.299999999999997 111.19 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -59.85 -32.67 70.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.805 -0.634 . . . . 53.200000000000003 110.964 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -84.53 -37.54 21.13 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.857 0.36 . . . . 72.099999999999994 110.778 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.732 0.301 . . . . 75.200000000000003 110.668 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.761 0.315 . . . . 73.5 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' OE1' ' A' ' 53' ' ' GLN . 6.9 tp -68.68 -45.61 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.400000000000006 110.886 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -74.37 -31.66 62.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.200000000000003 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.22 -35.07 71.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 70.299999999999997 111.1 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.75 -37.6 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 55.299999999999997 111.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.57 -45.18 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.299999999999997 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.8 mt -73.99 -36.9 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.4 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 51.399999999999999 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -66.55 -42.59 86.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.299999999999997 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -68.64 -35.61 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.299999999999997 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.19 -47.93 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.099999999999994 111.096 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.62 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.5 111.091 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -76.23 -31.62 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.200000000000003 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -52.68 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.896 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.708 ' OD2' HD21 ' A' ' 75' ' ' LEU . 6.6 t0 -61.8 -44.95 95.85 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.299999999999997 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -68.34 -31.53 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.71 -42.07 59.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.488 -0.323 . . . . 74.099999999999994 110.856 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.97 -30.43 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.594 -0.812 . . . . 63.5 112.761 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -73.52 120.86 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 64.5 110.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -105.6 -40.93 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 74.099999999999994 110.974 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 71.099999999999994 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.17 -39.99 94.52 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.337 -0.392 . . . . 74.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -62.57 -37.08 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 32.299999999999997 111.094 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 76' ' ' LYS . 62.0 tp -60.3 -49.38 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.872 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -66.57 -31.91 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 54.100000000000001 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 33.6 mt -74.49 -40.77 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.299999999999997 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.7 m-85 -60.5 -39.29 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.400000000000006 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.32 -42.41 83.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 62.299999999999997 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.737 ' HB3' HD13 ' A' ' 17' ' ' LEU . 10.3 m170 -61.12 -43.92 98.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.400000000000006 110.923 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.28 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 62.100000000000001 111.125 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.9 t -66.44 -33.65 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.200000000000003 111.079 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -65.58 -49.55 68.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.400000000000006 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 67.8 m-85 -69.03 -37.93 78.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.299999999999997 110.909 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.0 m-85 -62.25 -56.75 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.54 -31.85 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 61.299999999999997 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -61.71 -35.38 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -78.83 -42.83 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 60.200000000000003 111.093 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -67.1 -39.43 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 111.073 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -32.56 66.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 63.299999999999997 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -86.56 -68.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -167.28 96.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 70.200000000000003 110.923 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -65.53 -169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 71.299999999999997 111.063 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -88.11 -40.13 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.399999999999999 110.905 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.79 -178.03 41.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 60.200000000000003 112.473 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.63 -49.87 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.792 0.33 . . . . 65.299999999999997 110.92 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -69.04 -32.32 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.915 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.91 -44.18 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.400000000000006 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -60.48 -45.29 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -32.98 71.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.200000000000003 110.907 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -67.18 -42.01 84.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.299999999999997 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -72.82 -34.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.091 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -60.21 -44.85 94.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.400000000000006 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.463 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.1 -35.4 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 55.100000000000001 111.134 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.25 -42.61 59.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.299999999999997 110.902 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -60.27 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 51.399999999999999 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -83.38 -31.69 26.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.400000000000006 110.881 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -71.56 -48.31 49.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.45 -41.01 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 75.400000000000006 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.39 -36.29 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.400000000000006 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.52 -43.43 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.299999999999997 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 5.7 tpt180 -67.07 -51.16 57.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.099999999999994 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -59.79 -38.89 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 62.200000000000003 111.077 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.6 -36.62 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.891 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -72.73 -44.38 61.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 64.200000000000003 110.479 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.708 HD21 ' OD2' ' A' ' 25' ' ' ASP . 9.1 mp -58.64 -51.71 68.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 64.299999999999997 110.829 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 34' ' ' LEU . 23.1 pttt -62.87 -27.94 69.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.5 110.758 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -57.63 -55.23 37.55 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.208 -0.451 . . . . 61.200000000000003 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.7 p90 -78.23 -33.22 49.93 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.367 -0.379 . . . . 70.299999999999997 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 51.3 mt -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 73.400000000000006 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -83.54 -33.24 25.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 73.099999999999994 110.878 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 74.200000000000003 111.092 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 74.5 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.564 ' HB2' HG21 ' A' ' 47' ' ' VAL . 8.7 tp -73.67 -36.24 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 110.913 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.37 -39.92 88.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 61.5 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.741 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttt -72.7 -34.9 67.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 55.299999999999997 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.68 80.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 64.400000000000006 111.136 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.76 -31.24 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.400000000000006 111.157 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.15 -44.58 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 13' ' ' LYS . 7.2 mt -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.200000000000003 110.898 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -63.12 -47.51 82.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 62.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -42.53 96.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -71.44 -37.79 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.299999999999997 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -63.44 -47.05 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 111.074 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.76 -31.93 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.34 -52.71 24.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.35 -0.386 . . . . 74.5 110.95 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.35 -49.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.299999999999997 110.858 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.0 -31.97 70.42 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 116.222 -0.445 . . . . 51.399999999999999 110.79 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -39.5 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.499 -0.319 . . . . 75.0 110.8 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.55 -29.23 0.85 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 75.400000000000006 112.344 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -72.3 106.7 4.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.625 0.25 . . . . 71.099999999999994 111.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -96.13 -40.85 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 72.0 111.272 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.53 -54.14 49.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 73.5 110.666 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.25 -43.28 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 73.400000000000006 111.03 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.28 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 71.299999999999997 111.06 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 76' ' ' LYS . 54.1 tp -60.3 -52.9 63.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 63.200000000000003 110.892 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.96 -32.13 71.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.299999999999997 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 40.5 mt -73.3 -39.32 65.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.879 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 m-85 -60.51 -40.75 92.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.299999999999997 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -65.74 -43.69 88.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.099999999999994 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.735 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 71.299999999999997 110.941 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.79 -46.76 88.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.299999999999997 111.095 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.57 -37.03 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.299999999999997 111.082 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.57 -47.63 80.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.100000000000001 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 55.6 m-85 -73.38 -38.17 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.400000000000006 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 m-85 -60.28 -53.5 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.17 -31.39 71.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.400000000000006 110.92 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -60.16 -38.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LEU . 21.6 t -77.25 -50.15 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.099999999999994 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -60.27 -36.15 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -40.03 56.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.099999999999994 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -78.11 -73.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 71.400000000000006 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -161.85 98.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 65.5 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.23 -169.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 75.299999999999997 111.12 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 4.1 mp0 -91.46 -41.87 10.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.400000000000006 110.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.05 -179.88 41.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 71.200000000000003 112.491 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -60.28 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 63.399999999999999 110.916 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -67.9 -31.51 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 42.200000000000003 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.299999999999997 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 25.6 mttm -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.099999999999994 110.908 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -60.12 -32.99 71.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.400000000000006 110.921 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 t -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 51.299999999999997 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 HG22 ' A' ' 48' ' ' VAL . 30.6 mt -72.21 -33.95 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 64.200000000000003 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -60.29 -42.72 96.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.15 -36.39 74.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.099999999999994 111.111 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 26.7 mtmt -75.03 -40.87 60.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 75.5 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.85 -31.17 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 53.5 110.957 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.38 -31.62 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 65.099999999999994 110.913 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.65 -48.46 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.099999999999994 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.4 m-85 -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -36.54 78.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.099999999999994 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.05 -41.87 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.200000000000003 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -72.74 -49.79 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 72.099999999999994 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.57 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.299999999999997 111.089 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 -45.95 90.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 52.200000000000003 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.61 -38.01 62.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.002 -0.545 . . . . 63.200000000000003 110.659 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.0 -52.1 66.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.387 -0.37 . . . . 63.200000000000003 110.939 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.652 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.1 pttp -67.83 -27.86 67.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.151 -0.477 . . . . 63.200000000000003 110.896 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.67 -56.73 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 111.209 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.1 p90 -67.41 -36.4 81.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.536 -0.302 . . . . 73.099999999999994 110.757 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.515 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -63.0 -36.54 83.87 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.035 -0.529 . . . . 71.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -82.03 -31.49 30.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.725 0.297 . . . . 72.299999999999997 110.92 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 62.100000000000001 110.892 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 74.200000000000003 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.14 -41.93 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 70.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.28 -31.55 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.200000000000003 110.912 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -82.31 -31.57 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 60.299999999999997 110.918 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.88 -39.03 87.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 44.200000000000003 111.107 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.33 -38.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 64.5 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.49 -44.97 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.3 mt -73.29 -39.19 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.099999999999994 110.879 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.72 98.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 72.200000000000003 111.085 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -63.37 -41.97 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.200000000000003 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -68.93 -40.65 78.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 61.299999999999997 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -61.82 -45.83 92.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.299999999999997 111.121 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.42 73.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 33.100000000000001 111.091 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -36.4 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 72.400000000000006 110.937 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.39 -46.04 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.316 -0.402 . . . . 72.099999999999994 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD2' HD11 ' A' ' 75' ' ' LEU . 13.8 t0 -64.67 -51.04 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.299999999999997 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 64.5 110.792 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -41.06 64.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 73.099999999999994 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.63 -29.05 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.701 -0.762 . . . . 64.099999999999994 112.584 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -73.6 116.38 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.61 -0.347 . . . . 60.399999999999999 110.932 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -104.01 -41.83 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.299999999999997 110.93 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.5 -52.72 63.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.57 -43.28 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.299999999999997 111.058 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.24 81.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 54.200000000000003 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.9 tp -60.4 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.91 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.35 -33.3 75.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.93 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 30.7 mt -72.57 -37.27 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 34.200000000000003 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.599 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 14.9 m-85 -60.34 -47.05 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 62.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -62.48 -40.1 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.912 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.555 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.78 -43.13 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.938 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.37 -41.3 89.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.299999999999997 111.093 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -67.74 -37.3 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 111.089 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -60.22 -47.98 83.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 m-85 -72.44 -38.5 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.917 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.37 -52.6 64.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.200000000000003 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -34.44 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.400000000000006 110.873 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.56 -38.99 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.200000000000003 110.863 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 52' ' ' ALA . 30.3 t -62.11 -52.57 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 52.100000000000001 111.063 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.756 HG13 ' HG2' ' A' ' 58' ' ' LYS . 21.5 t -73.03 -36.04 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 71.299999999999997 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.75 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -104.29 -61.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.299999999999997 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.61 105.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 65.200000000000003 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -83.97 -169.84 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.200000000000003 111.097 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -61.84 -42.15 98.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.099999999999994 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.17 -150.43 7.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.739 . . . . 75.099999999999994 112.505 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -81.24 -56.19 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 72.200000000000003 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -60.1 -33.67 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.200000000000003 110.913 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.99 97.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.5 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.756 ' HG2' HG13 ' A' ' 48' ' ' VAL . 65.0 mttt -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.11 -33.02 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 63.100000000000001 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -69.97 -37.0 75.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 61.200000000000003 110.917 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 48' ' ' VAL . 38.8 mt -73.89 -33.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.200000000000003 111.062 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -60.8 -48.04 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.28 -32.27 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 54.200000000000003 111.066 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -76.16 -43.01 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.400000000000006 110.896 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 m -60.15 -30.9 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.200000000000003 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -82.41 -31.53 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.299999999999997 110.865 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.2 -47.65 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.299999999999997 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -69.15 -41.34 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.925 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.34 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.100000000000001 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.88 -37.32 84.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.200000000000003 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.39 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 54.200000000000003 111.062 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.86 -43.25 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.099999999999994 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.33 -37.74 63.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.947 -0.57 . . . . 75.200000000000003 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.04 -52.45 65.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.221 0.534 . . . . 62.299999999999997 110.875 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HB3' HD21 ' A' ' 34' ' ' LEU . 3.1 ptmt -67.62 -28.12 67.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 72.400000000000006 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.99 -56.98 12.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.094 -0.503 . . . . 54.299999999999997 111.263 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.82 -36.13 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.399999999999999 110.626 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 34' ' ' LEU . 72.0 mt -62.9 -34.96 78.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.5 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -81.52 -31.7 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 54.200000000000003 111.105 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 74.400000000000006 110.965 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 61.100000000000001 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.9 -46.08 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -32.9 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.400000000000006 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -73.2 -32.47 64.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.92 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -70.72 -36.58 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.400000000000006 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.81 -36.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 111.108 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -44.8 96.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 51.100000000000001 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 39' ' ' HIS . 8.0 mt -71.61 -37.14 70.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.100000000000001 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.74 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -67.28 -43.4 81.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 63.100000000000001 110.899 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -69.24 -40.93 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.91 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 72.5 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.6 82.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.200000000000003 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.2 -0.454 . . . . 71.299999999999997 111.038 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.33 -52.68 63.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 72.299999999999997 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.16 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 61.399999999999999 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -61.89 -35.64 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.400000000000006 110.898 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.19 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 70.0 111.32 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.91 34.8 0.94 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.625 -0.798 . . . . 34.299999999999997 112.461 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -131.32 93.25 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 70.200000000000003 110.839 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.34 -31.31 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -67.14 -55.19 15.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.252 -0.431 . . . . 73.299999999999997 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp10 -67.27 -42.4 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.400000000000006 110.877 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.200000000000003 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' A' ' 79' ' ' LEU . 65.6 tp -60.03 -51.76 68.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 70.099999999999994 110.856 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.08 -30.97 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.200000000000003 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' CD2' ' A' ' 17' ' ' LEU . 11.1 mt -75.29 -40.16 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 60.399999999999999 110.908 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 41' ' ' VAL . 12.9 m-85 -59.45 -39.22 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.56 -39.05 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.299999999999997 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.761 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.59 -46.21 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.64 -42.45 92.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 54.399999999999999 111.111 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -65.37 -35.75 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.83 -49.31 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.200000000000003 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.584 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.3 m-85 -68.75 -35.76 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.200000000000003 110.934 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 6.0 m-85 -63.45 -54.17 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.5 110.925 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.67 -31.59 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 63.299999999999997 110.865 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -60.28 -40.95 92.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 64.099999999999994 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -70.58 -34.21 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 111.106 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -77.56 -36.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.299999999999997 111.133 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -40.85 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.885 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -78.98 -72.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.400000000000006 110.921 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -166.36 98.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -71.63 -169.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.399999999999999 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.04 -54.8 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 62.5 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -159.01 -176.52 31.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 63.100000000000001 112.542 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -60.36 -49.21 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 62.5 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -36.56 83.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.924 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.86 -42.39 99.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.5 111.092 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 30.3 mttt -60.31 -43.89 95.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.099999999999994 110.922 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.37 -32.98 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.299999999999997 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.200000000000003 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 48' ' ' VAL . 34.4 mt -69.95 -33.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.5 111.057 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -62.22 -41.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.62 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 53.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -83.01 -38.32 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 75.5 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.92 -30.98 72.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 64.299999999999997 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 t -86.4 -29.73 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.200000000000003 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.28 -47.38 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 64.099999999999994 110.824 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -73.98 -40.45 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 73.200000000000003 110.936 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 41' ' ' VAL . 18.0 mt -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 70.299999999999997 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.81 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 75' ' ' LEU . 13.2 mtp85 -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.886 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -75.84 -35.42 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.400000000000006 111.102 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.13 -40.8 91.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 65.099999999999994 110.903 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -72.77 -37.79 67.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 75.200000000000003 110.618 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -59.43 -52.06 67.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 70.099999999999994 110.849 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 pttm -65.57 -28.04 68.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.64 -54.42 46.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.262 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -76.86 -37.71 55.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.353 -0.385 . . . . 62.100000000000001 110.922 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.696 HD12 HD22 ' A' ' 34' ' ' LEU . 23.0 mt -59.0 -30.28 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 71.099999999999994 111.028 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -87.28 -31.21 20.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 75.299999999999997 110.867 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 65.200000000000003 110.88 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.333 . . . . 75.299999999999997 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -74.33 -38.64 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 45.200000000000003 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -38.03 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.100000000000001 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.45 -35.53 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 63.299999999999997 110.871 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.95 -39.19 84.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 61.5 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.79 -31.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.200000000000003 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.59 -46.76 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.099999999999994 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.0 mt -64.93 -40.5 95.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.881 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.85 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.200000000000003 111.101 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.94 -31.7 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -68.52 -48.3 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.200000000000003 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.89 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.299999999999997 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.18 -35.12 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 62.200000000000003 110.937 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.4 -48.27 76.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 73.099999999999994 110.795 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.26 -44.72 87.19 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.234 -0.439 . . . . 71.200000000000003 110.896 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -62.44 -31.94 72.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.142 -0.481 . . . . 65.400000000000006 110.959 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.43 -44.11 53.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 70.299999999999997 111.326 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.67 -30.87 0.62 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.805 -0.712 . . . . 52.200000000000003 112.489 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -71.17 118.64 14.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.565 0.222 . . . . 64.200000000000003 111.37 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -106.57 -35.95 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 73.400000000000006 110.905 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.02 -53.66 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.5 110.838 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.16 -32.83 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 71.400000000000006 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.35 -39.7 77.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 72.099999999999994 111.102 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 76' ' ' LYS . 56.1 tp -60.3 -52.25 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 62.200000000000003 110.91 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.53 -31.67 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.200000000000003 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 23.1 mt -73.65 -40.99 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.8 m-85 -60.32 -38.34 83.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.200000000000003 110.943 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -69.09 -41.55 77.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.92 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.721 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.5 m170 -60.78 -44.25 97.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.81 -47.06 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.31 -33.1 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 55.200000000000003 111.111 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.8 -49.97 68.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.1 m-85 -72.08 -36.26 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 110.869 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.6 m-85 -61.24 -56.16 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.400000000000006 110.89 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.34 -31.62 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 63.399999999999999 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -60.61 -37.8 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 65.099999999999994 110.875 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.08 -40.2 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 111.139 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -67.92 -39.62 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.125 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -71.76 -54.87 8.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 54.399999999999999 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -60.32 -73.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.299999999999997 110.9 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.06 91.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 34.299999999999997 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -60.13 -176.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.299999999999997 111.069 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -84.9 -45.72 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.400000000000006 110.897 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -179.84 41.2 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 25.300000000000001 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.28 -53.0 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 74.299999999999997 110.932 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -60.36 -32.78 71.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.400000000000006 110.883 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.65 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.299999999999997 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -60.11 -48.41 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.400000000000006 110.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -60.18 -32.98 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 51.200000000000003 110.938 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -47.57 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.911 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG23 ' CD1' ' A' ' 44' ' ' PHE . 32.1 mt -71.29 -33.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -60.0 -41.41 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.099999999999994 110.85 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' THR . . . -71.09 -36.42 72.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -76.3 -37.27 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.200000000000003 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -64.9 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 54.100000000000001 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -80.53 -31.57 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.400000000000006 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.59 -47.93 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.399999999999999 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.8 -39.75 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.299999999999997 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.8 mt -60.57 -43.24 97.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.299999999999997 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.24 -47.85 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.200000000000003 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -69.28 -48.75 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.400000000000006 110.874 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 55.5 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.34 -45.39 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 72.200000000000003 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -72.38 -37.36 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.400000000000006 110.898 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 73.400000000000006 110.804 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.805 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.3 pttp -65.94 -28.09 68.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 75.099999999999994 110.86 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.11 -54.81 40.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 74.400000000000006 111.231 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -74.73 -36.76 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 73.400000000000006 111.194 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 22.9 mt -59.71 -35.49 74.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.867 -0.606 . . . . 72.099999999999994 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.91 -31.56 22.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.496 . . . . 52.5 111.024 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.852 0.358 . . . . 74.299999999999997 110.876 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 61.299999999999997 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 HG11 ' A' ' 47' ' ' VAL . 8.8 tp -72.21 -45.17 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 70.099999999999994 110.883 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -60.33 -31.6 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 44.399999999999999 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.656 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.48 -31.63 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -69.27 -36.81 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.299999999999997 111.114 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.56 -38.88 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 71.099999999999994 111.114 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.14 -45.67 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 13' ' ' LYS . 6.7 mt -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 61.299999999999997 110.904 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.51 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.400000000000006 111.097 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -61.23 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 53.399999999999999 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.43 -37.38 87.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.299999999999997 110.865 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -65.33 -47.61 75.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 62.399999999999999 111.083 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 54.100000000000001 111.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -83.0 -31.99 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.635 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.06 -43.38 74.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.462 -0.336 . . . . 71.099999999999994 110.904 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.776 ' OD1' HD21 ' A' ' 75' ' ' LEU . 1.4 t70 -69.96 -45.91 66.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.099999999999994 110.929 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -60.14 -31.86 70.48 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.196 -0.456 . . . . 72.400000000000006 110.721 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.72 -32.51 57.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.572 -0.285 . . . . 61.200000000000003 111.154 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.93 -28.57 2.13 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.604 -0.808 . . . . 52.0 112.805 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.04 109.91 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 54.5 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.477 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -99.6 -33.66 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.924 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.71 -53.23 35.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.457 . . . . 73.099999999999994 110.93 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -45.13 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 73.400000000000006 110.778 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.23 -36.19 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 60.100000000000001 111.094 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.6 tp -60.31 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 65.400000000000006 110.89 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -32.08 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.200000000000003 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -76.45 -37.97 56.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.9 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.8 m-85 -60.5 -43.22 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.26 -43.91 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m170 -60.44 -42.49 96.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.400000000000006 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.23 93.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.200000000000003 111.141 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.9 t -66.84 -38.37 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 41.399999999999999 111.054 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.77 -49.51 77.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 72.299999999999997 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.5 m-85 -70.08 -39.78 75.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.200000000000003 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.13 -55.52 32.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.299999999999997 110.897 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.07 -32.91 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.98 -42.92 99.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 52' ' ' ALA . 20.3 t -61.26 -53.25 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.099999999999994 111.183 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -69.14 -36.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.400000000000006 111.09 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -32.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.38 -66.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 73.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -158.5 96.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.299999999999997 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -66.11 -169.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 73.099999999999994 111.081 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' NE2' HD22 ' A' ' 11' ' ' LEU . 24.2 mm-40 -90.75 -33.68 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.38 -177.57 46.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 45.200000000000003 112.511 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.98 -55.72 30.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.200000000000003 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -60.23 -30.97 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.400000000000006 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.200000000000003 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -59.66 -53.39 58.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -33.01 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.400000000000006 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -66.35 -48.01 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.200000000000003 110.869 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.44 -33.89 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.099999999999994 111.087 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -59.05 -46.65 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.400000000000006 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.85 -31.87 71.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.200000000000003 111.05 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -76.72 -41.21 46.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -61.92 -30.76 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.299999999999997 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.7 t -81.71 -31.34 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.099999999999994 110.92 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.62 -47.63 46.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.099999999999994 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.29 -43.24 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 73.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 65' ' ' CYS . 16.4 mt -60.26 -38.73 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 53.299999999999997 110.939 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.22 -46.54 89.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.099999999999994 110.935 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -70.58 -50.59 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 72.200000000000003 110.878 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.100000000000001 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 71.099999999999994 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -74.97 -32.45 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 74.5 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.776 HD21 ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -61.01 -51.83 67.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 62.299999999999997 110.845 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB3' HD21 ' A' ' 34' ' ' LEU . 9.6 pttt -69.44 -27.86 65.61 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.129 -0.487 . . . . 63.399999999999999 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.69 -54.44 41.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 63.299999999999997 111.044 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.477 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 5.3 p90 -70.49 -33.65 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 72.5 110.915 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 34' ' ' LEU . 58.9 mt -67.39 -35.09 78.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.41 -0.359 . . . . 73.5 110.869 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -42.34 31.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.757 -0.656 . . . . 65.099999999999994 110.993 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 74.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.03 -38.48 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.400000000000006 110.927 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -60.18 -41.52 93.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.697 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -72.02 -34.82 69.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.200000000000003 110.926 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.31 84.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.12 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.99 -31.11 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.45 -50.1 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD11 ' HD3' ' A' ' 13' ' ' LYS . 9.7 mt -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.099999999999994 110.926 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.200000000000003 111.089 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -61.44 -38.62 87.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -69.94 -44.9 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.5 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -62.7 -48.98 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 62.100000000000001 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.31 75.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 64.400000000000006 111.096 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.92 -31.49 31.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.104 0.478 . . . . 73.400000000000006 111.186 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.88 -46.6 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 73.400000000000006 110.849 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.24 -47.03 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -32.19 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 75.099999999999994 110.986 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.26 34.3 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.898 -0.592 . . . . 72.400000000000006 110.867 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.78 -29.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.901 -0.666 . . . . 52.200000000000003 112.624 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -73.22 112.21 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 63.299999999999997 110.888 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -102.87 -38.06 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.299999999999997 110.881 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.37 -56.26 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 71.200000000000003 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.04 -33.73 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.200000000000003 110.895 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -69.6 -36.23 76.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 42.100000000000001 111.097 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 75' ' ' LEU . 33.2 tp -60.2 -52.45 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.400000000000006 110.879 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -62.97 -31.52 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.200000000000003 110.958 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.0 mt -74.45 -38.44 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.299999999999997 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB1' ' A' ' 21' ' ' ALA . 15.7 m-85 -60.3 -44.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.299999999999997 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.74 -36.84 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.200000000000003 110.918 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.6 m170 -62.35 -44.44 96.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.099999999999994 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.04 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.400000000000006 111.12 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.0 t -63.18 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.299999999999997 111.077 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.03 -46.37 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 75.200000000000003 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 m-85 -71.89 -30.81 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.299999999999997 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.762 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 m-85 -71.18 -50.47 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 74.099999999999994 110.88 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.8 mp -60.19 -31.36 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 71.099999999999994 110.929 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -76.09 -43.25 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.200000000000003 111.044 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.828 HG22 HD12 ' A' ' 61' ' ' ILE . 29.3 t -62.82 -36.11 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 70.099999999999994 111.096 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -77.88 -45.36 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -67.56 -73.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 110.919 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.2 94.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.200000000000003 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . . . -62.84 -176.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 45.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -82.37 -49.61 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 44.5 110.895 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.55 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.87 -176.15 36.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 33.200000000000003 112.53 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.55 -49.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 61.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.27 -31.58 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.939 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -70.23 -44.5 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.200000000000003 111.084 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 18.5 mttm -59.8 -48.44 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.89 -33.09 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 54.399999999999999 110.934 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -62.97 -38.97 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.299999999999997 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG22 ' A' ' 48' ' ' VAL . 35.0 mt -69.75 -34.02 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.099999999999994 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -59.21 -46.19 89.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.903 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 66' ' ' THR . . . -66.66 -36.11 81.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 31.4 mtmt -75.98 -37.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.400000000000006 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.6 -31.63 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 50.299999999999997 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.2 t -82.35 -31.32 29.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.902 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -72.38 -47.49 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.400000000000006 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.1 m-85 -69.22 -42.04 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.299999999999997 110.924 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.16 -50.3 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.400000000000006 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -61.13 -47.39 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 73.099999999999994 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -62.12 -46.45 88.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.872 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -69.92 -37.11 75.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.200000000000003 111.1 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.22 -41.89 94.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -43.25 77.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 44.100000000000001 111.252 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.544 ' CB ' HD13 ' A' ' 34' ' ' LEU . 2.4 mp -58.47 -52.11 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 74.200000000000003 110.839 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -61.64 -27.98 69.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.17 50.1 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.106 -0.497 . . . . 62.100000000000001 111.096 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.488 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.3 p90 -81.89 -37.08 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 75.200000000000003 110.875 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 19.4 mt -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 70.299999999999997 110.93 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -31.86 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.996 -0.547 . . . . 71.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.999 -0.546 . . . . 64.299999999999997 110.744 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.841 0.353 . . . . 72.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 47' ' ' VAL . 7.4 tp -76.06 -37.83 57.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 52.299999999999997 110.977 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.38 -36.47 78.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.200000000000003 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttp -75.98 -35.56 59.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.5 110.889 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.52 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.400000000000006 111.094 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.51 -33.9 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.100000000000001 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.13 -50.0 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.299999999999997 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.777 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.4 mt -62.03 -37.9 86.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.400000000000006 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -44.24 94.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 70.400000000000006 111.094 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -68.88 -43.17 75.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 64.200000000000003 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -63.41 -41.79 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 50.299999999999997 110.906 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.95 -46.99 87.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.099999999999994 111.07 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 51.100000000000001 111.121 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -77.3 -32.27 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 43.100000000000001 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.25 -52.66 25.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.814 ' OD2' HD21 ' A' ' 75' ' ' LEU . 9.8 t70 -63.65 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.400000000000006 110.879 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -74.29 -28.47 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.935 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.49 23.6 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 54.200000000000003 111.342 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.48 -40.39 2.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 73.5 112.609 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -57.15 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.251 . . . . 74.400000000000006 111.3 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 2.5 m-85 -89.88 -43.53 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 72.5 110.89 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.34 -54.79 41.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 64.200000000000003 111.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.73 -31.95 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 74.400000000000006 110.911 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -70.66 -37.72 73.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 64.400000000000006 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 76' ' ' LYS . 53.6 tp -60.09 -44.39 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.82 -35.3 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 110.89 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.2 mt -74.89 -39.31 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 70.299999999999997 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.614 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.9 m-85 -60.51 -45.88 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.05 -38.56 91.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.955 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.28 -47.19 87.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.200000000000003 110.918 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -57.72 -45.21 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 111.158 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.9 t -63.5 -42.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.099999999999994 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -60.26 -45.2 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.785 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.0 m-85 -71.11 -31.71 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.299999999999997 110.879 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.5 m-85 -72.49 -49.85 30.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 41' ' ' VAL . 8.0 mp -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 60.299999999999997 110.861 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -69.88 -39.85 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.299999999999997 110.895 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.5 t -70.41 -54.26 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 61.299999999999997 111.113 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 61' ' ' ILE . 21.6 t -59.84 -41.9 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.5 111.109 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 50' ' ' TYR . 13.3 ttpp -66.29 -36.77 83.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 74.299999999999997 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' HE3' ' A' ' 49' ' ' LYS . 6.7 m-85 -82.46 -69.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.399999999999999 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -169.37 92.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.099999999999994 110.866 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -59.64 -169.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 55.299999999999997 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -74.75 -46.76 35.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.400000000000006 110.882 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.42 -103.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 74.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -125.6 -59.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 75.099999999999994 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.87 -31.86 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.299999999999997 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.19 93.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.200000000000003 111.047 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 29.5 mttt -60.09 -41.11 91.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.911 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.18 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.299999999999997 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -66.98 -36.18 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.400000000000006 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 48' ' ' VAL . 42.5 mt -71.97 -34.0 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 42.5 111.077 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -60.19 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 61.399999999999999 110.827 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 66' ' ' THR . . . -64.09 -33.76 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.200000000000003 111.083 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 52.1 mtmt -76.59 -39.39 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.299999999999997 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -30.33 68.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.399999999999999 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -84.08 -31.3 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 53.299999999999997 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.53 -47.54 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.400000000000006 110.903 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 16.4 m-85 -72.01 -38.3 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.299999999999997 110.954 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 17.2 mt -62.42 -48.65 78.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.925 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.15 -39.05 88.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' O ' HD13 ' A' ' 75' ' ' LEU . 15.8 ttt180 -73.86 -49.29 25.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 110.885 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.37 -41.53 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 62.5 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.24 -39.3 86.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.299999999999997 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -42.24 63.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.14 -0.482 . . . . 61.299999999999997 110.642 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.814 HD21 ' OD2' ' A' ' 25' ' ' ASP . 7.6 mp -58.14 -52.08 67.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 74.5 110.895 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.2 ptmt -64.3 -27.93 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.099999999999994 110.853 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -56.77 17.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.162 -0.472 . . . . 52.0 111.083 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 3.7 p90 -73.1 -35.88 66.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.471 -0.331 . . . . 75.400000000000006 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 64.7 mt -63.6 -31.14 72.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.091 -0.504 . . . . 73.400000000000006 110.99 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -79.61 -42.67 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 64.099999999999994 110.95 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 72.200000000000003 110.73 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 52.100000000000001 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.64 -35.13 60.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 34.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -60.21 -32.06 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.400000000000006 110.895 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -38.51 29.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.89 -39.87 86.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.299999999999997 111.114 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.14 -35.55 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 111.16 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.12 -40.55 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 53.399999999999999 110.859 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.5 mt -73.7 -36.52 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.200000000000003 110.906 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.27 91.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.200000000000003 111.076 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.15 -40.93 74.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.399999999999999 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.26 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 62.100000000000001 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -61.98 -50.48 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 33.299999999999997 111.052 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.66 73.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.200000000000003 111.126 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -78.95 -31.69 45.18 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.171 -0.468 . . . . 72.400000000000006 111.316 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.32 -50.41 53.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 70.0 110.948 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.51 -50.52 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 72.099999999999994 110.898 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -61.65 -31.43 71.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.81 69.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.201 0.525 . . . . 72.400000000000006 111.504 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.45 -31.66 2.02 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.566 -0.826 . . . . 44.200000000000003 112.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.34 116.9 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 71.5 111.056 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.478 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -102.24 -34.81 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.099999999999994 110.894 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -60.15 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 110.749 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.96 -35.52 78.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 61.200000000000003 110.929 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -67.41 -38.28 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 62.200000000000003 111.103 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.7 tp -60.28 -50.93 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.400000000000006 110.912 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.05 -31.57 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.200000000000003 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.1 mt -73.82 -41.65 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.099999999999994 110.912 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.9 m-85 -60.4 -34.36 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.099999999999994 110.91 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -72.62 -44.34 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.76 ' HB3' HD13 ' A' ' 17' ' ' LEU . 16.4 m170 -60.46 -43.93 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.200000000000003 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.04 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.399999999999999 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.7 t -66.25 -33.32 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.200000000000003 111.105 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -67.39 -47.12 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.099999999999994 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.617 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 67.4 m-85 -73.28 -37.89 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.299999999999997 110.89 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.51 -56.19 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 75.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.97 -31.56 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 41.5 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.100000000000001 110.882 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.4 t -74.09 -43.97 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.099999999999994 111.164 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -67.02 -36.11 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.099999999999994 111.048 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -42.87 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -74.91 -73.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.87 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 95.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.099999999999994 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.48 -176.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 111.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.67 -36.03 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.200000000000003 110.903 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.54 -175.6 47.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.099999999999994 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.32 -54.48 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.200000000000003 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.15 -31.53 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.299999999999997 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.28 -43.84 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.200000000000003 111.122 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 19.0 mttm -60.26 -48.29 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.18 -33.02 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.299999999999997 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -64.44 -45.1 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 62.299999999999997 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 48' ' ' VAL . 30.8 mt -71.9 -34.01 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 70.099999999999994 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -60.26 -42.18 94.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.099999999999994 110.863 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.6 -36.22 73.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 30.300000000000001 111.118 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -75.47 -39.89 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.200000000000003 110.929 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -31.11 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.5 110.914 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -81.78 -31.5 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.299999999999997 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.32 -47.74 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.299999999999997 110.865 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.44 -39.52 88.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 41' ' ' VAL . 14.8 mt -66.93 -31.88 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.200000000000003 110.881 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.9 -53.84 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 110.897 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -65.84 -45.54 81.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.400000000000006 110.943 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -61.27 -40.57 94.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 61.399999999999999 111.095 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.25 -42.11 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.888 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -70.76 -41.01 72.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 72.200000000000003 110.574 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -59.47 -51.52 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 52.200000000000003 110.769 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' HD21 ' A' ' 34' ' ' LEU . 19.4 pttt -62.85 -27.58 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 75.400000000000006 111.016 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.63 -54.07 51.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.5 110.968 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.478 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.0 p90 -81.44 -36.73 29.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.311 -0.404 . . . . 74.400000000000006 110.466 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 34' ' ' LEU . 17.9 mt -60.02 -33.38 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.489 . . . . 75.400000000000006 110.889 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -86.09 -31.58 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.099999999999994 110.929 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.085 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 74.200000000000003 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.35 -40.1 45.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.871 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.200000000000003 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -79.25 -37.87 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -64.05 -40.7 96.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.148 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.8 mt -75.93 -34.88 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 51.399999999999999 111.145 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.2 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.299999999999997 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.2 mt -67.61 -37.61 82.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.847 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -33.96 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -79.87 -41.23 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 62.200000000000003 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.88 -45.87 66.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 52.399999999999999 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.05 -47.95 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 63.100000000000001 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.3 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 30.199999999999999 111.095 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -79.4 -35.11 41.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.207 -0.452 . . . . 70.299999999999997 111.366 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.45 -52.75 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 72.299999999999997 110.893 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.13 -47.32 86.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -62.44 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.06 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 73.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.63 -28.26 0.54 Allowed Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.561 -0.828 . . . . 42.100000000000001 112.431 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.31 121.91 22.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.339 . . . . 73.400000000000006 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.9 m-85 -108.23 -35.44 6.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.202 0.525 . . . . 65.299999999999997 111.114 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.97 -57.76 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 70.5 110.496 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 74.200000000000003 110.785 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.77 -40.49 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 51.5 111.082 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.546 HD22 HD12 ' A' ' 79' ' ' LEU . 42.6 tp -60.22 -43.7 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.099999999999994 110.888 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.94 -40.34 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.299999999999997 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 33' ' ' ALA . 7.1 mt -68.67 -38.22 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 62.100000000000001 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 13.3 m-85 -60.02 -46.22 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.299999999999997 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -60.21 -40.79 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.200000000000003 110.924 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 17' ' ' LEU . 24.8 m170 -63.49 -36.5 83.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 75.400000000000006 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 71.5 111.102 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.834 HG11 HD13 ' A' ' 69' ' ' LEU . 21.8 t -63.76 -36.05 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 111.09 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -64.31 -44.94 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 71.400000000000006 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.6 m-85 -74.34 -36.7 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 61' ' ' ILE . 11.0 m-85 -65.76 -48.85 70.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.400000000000006 110.937 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.82 -33.89 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.200000000000003 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -65.66 -31.69 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.399999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 43' ' ' TYR . 26.2 t -79.42 -51.99 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 63.5 111.077 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -64.21 -40.85 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 64.400000000000006 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -65.18 -43.36 91.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.299999999999997 110.924 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -73.16 -69.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.400000000000006 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.6 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -64.01 -178.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 111.088 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.57 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.946 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.587 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -149.68 -157.7 7.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 70.0 112.456 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -73.24 -58.22 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 73.200000000000003 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.33 -31.57 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 73.200000000000003 110.911 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.74 -45.86 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.76 -42.73 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.200000000000003 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.99 72.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -46.27 60.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 61.399999999999999 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 44' ' ' PHE . 34.3 mt -69.92 -34.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 54.5 111.076 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -59.49 -49.16 78.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 66' ' ' THR . . . -65.86 -32.42 73.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.200000000000003 111.114 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 38.3 mtmt -76.8 -41.43 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.200000000000003 110.939 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -59.81 -30.55 68.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.400000000000006 110.939 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -82.67 -31.68 28.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -69.25 -47.81 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.299999999999997 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.684 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 18.5 m-85 -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 73.400000000000006 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 HG11 ' A' ' 41' ' ' VAL . 1.9 tp -60.01 -41.51 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.299999999999997 110.931 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.91 -46.83 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.821 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.2 mmm-85 -63.88 -32.65 74.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.400000000000006 110.878 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.28 -40.54 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 35.399999999999999 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.98 -36.86 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.299999999999997 110.945 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -75.44 -39.05 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.299999999999997 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 71' ' ' ARG . 7.5 mp -62.73 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 70.299999999999997 110.886 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 34' ' ' LEU . 3.1 ptpt -64.96 -28.1 69.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.200000000000003 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.81 -51.22 70.94 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.361 -0.381 . . . . 61.5 110.99 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 2.8 p90 -84.23 -37.25 22.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.626 -0.261 . . . . 74.400000000000006 111.231 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 18.6 mt -60.06 -42.85 95.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.922 -0.581 . . . . 70.400000000000006 110.914 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -31.72 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 71.200000000000003 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 50.399999999999999 110.591 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 74.299999999999997 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.32 -44.63 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 65.299999999999997 110.926 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -60.28 -31.62 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.099999999999994 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -74.39 -31.64 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 64.099999999999994 110.885 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 43' ' ' TYR . . . -72.48 -36.66 68.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 70.5 111.117 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.61 -36.88 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 72.400000000000006 111.091 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.53 -45.41 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.099999999999994 110.868 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.1 mt -72.01 -37.51 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.58 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.400000000000006 111.108 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -46.28 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -67.67 -42.1 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.100000000000001 111.015 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.92 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 70.5 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.4 74.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 42.299999999999997 111.115 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -78.19 -35.42 48.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 63.100000000000001 111.025 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 6.7 mm-40 -60.38 -52.62 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.851 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.8 t0 -61.41 -47.43 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 65.200000000000003 110.858 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -61.09 -31.73 71.41 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.003 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.4 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 72.099999999999994 111.169 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.36 -28.97 1.5 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.402 -0.904 . . . . 75.400000000000006 112.482 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -71.86 117.86 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 65.200000000000003 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.06 -42.31 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.400000000000006 110.902 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.099999999999994 111.021 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.28 -42.29 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 51.299999999999997 110.917 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -63.06 -36.25 82.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.200000000000003 111.078 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 79' ' ' LEU . 58.9 tp -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.299999999999997 110.858 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.25 -35.17 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 64.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 17' ' ' LEU . 14.4 mt -72.17 -39.14 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 73.099999999999994 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.653 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.72 -51.05 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -37.85 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 52.5 110.951 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.739 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.7 m170 -60.59 -45.98 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.400000000000006 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.92 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -64.55 -45.73 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.57 -38.44 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 71.299999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.1 m-85 -75.29 -31.24 60.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 53.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.1 m-85 -77.8 -50.37 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 64.299999999999997 110.909 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.31 -31.59 72.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 53.399999999999999 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -67.55 -48.85 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.299999999999997 110.876 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.5 t -63.32 -48.96 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.299999999999997 111.072 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 44' ' ' PHE . 27.6 t -63.35 -36.11 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 44.299999999999997 111.039 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.58 -39.81 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.200000000000003 110.927 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -77.56 -73.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -161.61 94.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.299999999999997 110.875 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -66.28 -176.05 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 74.200000000000003 111.138 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -82.51 -39.08 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 178.12 43.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 62.399999999999999 112.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.19 -55.52 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 41.5 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -32.99 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.099999999999994 110.881 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.72 93.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 61.100000000000001 111.06 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.46 -46.31 90.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.400000000000006 110.925 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.97 -33.02 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 71.099999999999994 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -43.86 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.45 -33.99 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 63.299999999999997 111.047 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.099999999999994 110.903 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -27.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -78.97 -46.37 18.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.299999999999997 111.065 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -60.27 -33.08 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.949 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -79.3 -31.55 43.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.299999999999997 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.64 -48.32 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.54 -33.49 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 41' ' ' VAL . 14.4 mt -60.26 -44.62 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.895 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.1 -44.52 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 72.400000000000006 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -66.89 -47.5 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.200000000000003 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -32.89 73.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 62.200000000000003 111.069 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -60.41 -43.52 96.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.299999999999997 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -74.49 -39.19 62.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.471 . . . . 62.399999999999999 111.204 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.5 -51.99 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 60.399999999999999 110.847 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB3' HD21 ' A' ' 34' ' ' LEU . 20.9 pttt -67.6 -27.89 67.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.299999999999997 110.877 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.5 -56.73 15.78 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.248 -0.433 . . . . 74.5 111.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.366 . . . . 73.200000000000003 110.637 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -62.07 -40.9 97.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.892 0.377 . . . . 73.5 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.27 -32.04 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.5 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.299999999999997 110.831 -179.64 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 72.400000000000006 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.14 -46.27 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.400000000000006 110.945 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -60.04 -35.09 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 73.400000000000006 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CE ' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -77.76 -31.35 51.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.73 -38.45 86.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 53.399999999999999 111.095 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -76.11 -33.6 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 53.5 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.24 -40.6 90.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.876 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.4 mt -74.0 -42.23 60.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.200000000000003 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.97 -44.37 94.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 53.299999999999997 111.11 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 54.399999999999999 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -71.12 -36.7 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.200000000000003 110.931 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.100000000000001 111.089 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.95 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 41.100000000000001 111.093 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -76.43 -31.96 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.399999999999999 110.793 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.0 -49.01 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.87 0.367 . . . . 71.200000000000003 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.53 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.399999999999999 110.879 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.51 -33.88 76.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.17 -0.468 . . . . 54.100000000000001 111.179 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.92 -47.28 66.15 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.895 -0.593 . . . . 72.099999999999994 111.109 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.39 -31.84 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.134 -0.555 . . . . 60.299999999999997 112.787 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -74.26 117.16 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 64.299999999999997 110.844 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.87 -39.14 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.35 -54.97 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 61.5 111.058 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.2 -36.0 80.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 73.5 110.687 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.55 -38.82 92.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.200000000000003 111.123 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 72' ' ' ALA . 45.8 tp -60.24 -48.07 83.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.299999999999997 110.919 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -35.44 75.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.5 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 33' ' ' ALA . 6.5 mt -76.91 -38.63 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 73.400000000000006 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.683 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.6 m-85 -60.31 -43.62 96.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 74.299999999999997 110.929 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.72 -42.15 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.595 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.34 -44.2 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.399999999999999 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.1 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 34.100000000000001 111.116 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.02 -32.15 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.7 -45.28 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 70.5 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 72.6 m-85 -75.34 -32.55 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.400000000000006 110.872 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.728 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.0 m-85 -67.65 -38.84 84.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 73.400000000000006 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.7 -30.87 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.099999999999994 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -63.1 -55.64 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.004 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 48' ' ' VAL . 11.1 p -59.54 -43.61 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.200000000000003 111.131 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.781 HG22 HD12 ' A' ' 61' ' ' ILE . 35.9 t -69.74 -40.76 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.099999999999994 111.07 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE2' ' CD1' ' A' ' 50' ' ' TYR . 4.0 ttpt -69.63 -42.78 73.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.099999999999994 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CD1' ' HE2' ' A' ' 49' ' ' LYS . 7.4 m-85 -72.67 -71.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.099999999999994 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.75 92.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 110.894 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -59.85 -176.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.299999999999997 111.142 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.97 -41.48 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.099999999999994 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.3 -176.9 39.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.485 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.52 -55.11 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 74.200000000000003 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -62.48 -32.91 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.400000000000006 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.04 -46.47 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 54.399999999999999 111.089 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 57.2 mttt -60.31 -42.49 95.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.200000000000003 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.34 -33.01 71.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 60.299999999999997 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -43.39 71.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.299999999999997 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -69.76 -33.98 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.299999999999997 111.097 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -60.68 -46.78 89.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.13 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 65.400000000000006 111.114 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 11.9 mtmt -73.28 -43.26 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 70.299999999999997 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.567 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.6 m -60.03 -30.79 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.299999999999997 110.878 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 t -85.32 -31.69 22.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 72.400000000000006 110.859 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -69.25 -47.87 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 65.200000000000003 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.621 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 17.3 m-85 -71.49 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 110.941 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.1 mt -60.27 -44.78 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.299999999999997 110.876 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.64 -39.57 94.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 75' ' ' LEU . 9.4 tpt180 -72.19 -49.92 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.06 -38.79 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 64.400000000000006 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.17 -40.09 88.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 62.200000000000003 110.937 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.17 -41.28 70.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.400000000000006 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 71' ' ' ARG . 6.3 mp -59.14 -52.04 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.099999999999994 110.834 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.3 ptmt -62.82 -27.87 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.299999999999997 110.753 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.59 -52.6 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 72.099999999999994 111.043 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 3.6 p90 -83.84 -33.41 24.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 110.778 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 78' ' ' TYR . 23.6 mt -65.97 -36.83 84.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.894 0.378 . . . . 74.200000000000003 110.752 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -31.31 28.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 70.099999999999994 110.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.497 -0.319 . . . . 55.399999999999999 110.922 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 74.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.661 HD13 HG11 ' A' ' 47' ' ' VAL . 6.8 tp -71.18 -39.07 72.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.26 -33.88 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.888 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.681 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -78.84 -36.07 43.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.299999999999997 110.913 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.53 79.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 65.099999999999994 111.09 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.37 -38.85 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.29 -45.02 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.099999999999994 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -62.52 -42.88 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 75.299999999999997 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -46.83 88.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 43.299999999999997 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -48.2 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 64.200000000000003 110.857 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.4 -42.73 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.200000000000003 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -60.2 -45.1 94.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.58 70.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.299999999999997 111.04 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -78.98 -36.57 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 71.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.52 -52.72 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.099999999999994 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.685 ' OD2' HD21 ' A' ' 75' ' ' LEU . 10.1 t70 -64.89 -44.89 88.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.881 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -63.5 -31.83 73.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.400000000000006 110.942 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.17 -43.38 34.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.438 . . . . 75.400000000000006 111.447 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.44 -29.85 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.054 -0.593 . . . . 71.400000000000006 112.812 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -74.33 112.73 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 73.200000000000003 110.801 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -98.86 -36.69 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.868 0.366 . . . . 75.099999999999994 111.081 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.69 -53.31 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.100000000000001 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -36.65 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 60.200000000000003 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.18 -38.47 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 60.399999999999999 111.067 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.634 HD12 ' HB1' ' A' ' 72' ' ' ALA . 46.6 tp -60.27 -49.23 78.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.299999999999997 110.909 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.299999999999997 110.881 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 mt -74.65 -40.23 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 54.299999999999997 110.924 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.52 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 17.3 m-85 -60.39 -49.81 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 65.400000000000006 110.893 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -60.6 -38.89 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 54.100000000000001 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.9 m170 -60.29 -44.64 95.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.85 -46.89 87.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.299999999999997 111.079 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -61.17 -35.08 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 74.200000000000003 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.36 -49.75 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 65.099999999999994 110.883 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 47' ' ' VAL . 66.6 m-85 -72.56 -36.45 68.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 73.200000000000003 110.887 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CE2' ' HB1' ' A' ' 40' ' ' ALA . 5.6 m-85 -61.19 -56.29 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.400000000000006 110.883 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.71 -31.58 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -60.28 -37.79 81.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.400000000000006 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.661 HG11 HD13 ' A' ' 11' ' ' LEU . 21.4 t -74.36 -34.1 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 60.399999999999999 111.152 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.6 t -77.15 -36.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 54.200000000000003 111.09 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -31.66 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.400000000000006 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -87.56 -72.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.099999999999994 110.932 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -162.47 97.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 70.099999999999994 110.895 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -72.23 -169.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 71.099999999999994 111.11 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -89.44 -36.25 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 54.100000000000001 110.884 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.76 -173.97 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.5 112.53 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.36 -55.98 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 62.299999999999997 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -59.97 -30.96 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.400000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.11 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.5 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 31.1 mttt -60.08 -52.57 64.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -33.05 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.299999999999997 110.904 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -63.47 -44.64 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 53.399999999999999 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.05 -33.99 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.299999999999997 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.57 93.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.924 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.47 -33.52 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -76.27 -42.08 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.94 -31.0 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.099999999999994 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.1 t -81.87 -31.48 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 52.299999999999997 110.89 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.33 -47.63 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.200000000000003 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.41 -36.42 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.099999999999994 110.94 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.26 -37.28 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.400000000000006 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.45 -43.07 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 75' ' ' LEU . 24.5 ttt180 -67.45 -51.78 47.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.200000000000003 110.939 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.93 -41.82 92.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.099999999999994 111.109 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -34.42 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -72.38 -42.36 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.400000000000006 110.928 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.685 HD21 ' OD2' ' A' ' 25' ' ' ASP . 8.9 mp -59.25 -52.02 67.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.099999999999994 110.916 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HB3' HD21 ' A' ' 34' ' ' LEU . 15.1 pttt -63.15 -27.89 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.65 -56.92 15.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.4 p90 -76.37 -37.8 56.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.197 0.523 . . . . 65.200000000000003 110.875 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 27.1 mt -58.8 -31.12 68.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.016 -0.538 . . . . 73.299999999999997 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -79.86 -42.91 23.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.341 . . . . 73.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 120.936 0.398 . . . . 72.400000000000006 110.885 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 70.099999999999994 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' HB2' HG21 ' A' ' 47' ' ' VAL . 11.0 tp -69.49 -35.92 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.54 -49.32 78.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.75 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 110.861 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.43 -44.24 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 24.399999999999999 111.088 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.89 -33.5 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 55.399999999999999 111.06 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.92 -49.57 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.299999999999997 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.75 HD11 ' HD3' ' A' ' 13' ' ' LYS . 14.7 mt -61.23 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 70.299999999999997 111.093 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m -61.64 -44.0 97.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.299999999999997 110.896 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -70.62 -39.16 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 64.200000000000003 110.956 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.14 -47.49 85.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.099999999999994 111.101 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.85 89.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 63.399999999999999 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -74.36 -31.49 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.299999999999997 111.106 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.66 -38.7 77.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.400000000000006 110.889 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.04 -51.04 27.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.200000000000003 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.299999999999997 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.3 72.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 71.5 111.234 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.38 -28.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.973 -0.632 . . . . 51.200000000000003 112.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.26 115.5 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 62.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.64 -36.04 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.299999999999997 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -64.51 -55.49 20.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.224 -0.443 . . . . 62.200000000000003 111.096 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -41.91 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 75.099999999999994 110.955 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -62.35 -36.24 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 44.100000000000001 111.082 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 76' ' ' LYS . 55.0 tp -60.29 -50.2 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.299999999999997 110.939 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -62.57 -31.59 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 74.400000000000006 110.863 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 33' ' ' ALA . 16.0 mt -76.08 -37.2 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.663 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.2 m-85 -60.64 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.299999999999997 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.38 -40.64 85.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 44.299999999999997 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.7 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 m170 -60.55 -44.91 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.91 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.63 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.400000000000006 111.073 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -66.26 -35.95 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.299999999999997 111.067 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.42 -47.86 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.400000000000006 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.3 m-85 -72.6 -38.24 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 73.200000000000003 110.91 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.21 -55.04 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 70.400000000000006 110.941 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.65 -31.18 70.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.400000000000006 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -60.54 -38.47 84.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.7 t -77.03 -34.17 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.299999999999997 111.136 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -77.42 -36.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.099999999999994 111.172 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -45.85 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.37 -73.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -168.09 96.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -60.07 -171.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 64.099999999999994 111.109 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -93.96 -31.32 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.299999999999997 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.38 170.93 40.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 53.200000000000003 112.512 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.01 -52.18 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 64.099999999999994 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -61.22 -31.61 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 54.200000000000003 110.925 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.73 -40.67 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.299999999999997 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.548 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 62.8 mttt -60.41 -49.57 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.299999999999997 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -60.33 -33.01 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.200000000000003 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -65.77 -42.6 90.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 64.099999999999994 110.895 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 48' ' ' VAL . 25.5 mt -72.31 -34.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 111.037 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -59.68 -49.11 79.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.299999999999997 110.867 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.03 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.400000000000006 111.064 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -76.12 -43.22 44.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.400000000000006 110.912 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.28 -30.92 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 65.099999999999994 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -82.66 -31.57 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.299999999999997 110.842 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.33 -48.35 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.400000000000006 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.43 -37.67 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.27 -44.44 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.099999999999994 110.948 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.95 -37.07 85.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 65.099999999999994 110.921 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -68.02 -43.75 78.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.099999999999994 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -76.1 -31.18 58.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.92 -47.21 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.099999999999994 110.901 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -73.81 -37.14 65.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.179 -0.464 . . . . 73.299999999999997 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.35 -51.99 67.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.922 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 ptmt -67.85 -27.67 66.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 110.619 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.45 -57.2 12.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.099999999999994 111.142 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 6.2 p90 -67.28 -36.24 81.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.165 -0.471 . . . . 70.200000000000003 110.728 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.6 mt -62.75 -40.92 98.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.254 -0.43 . . . . 61.399999999999999 110.945 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -75.96 -32.22 59.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.919 -0.582 . . . . 73.5 110.976 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.239 0.501 0 CA-C-N 115.851 -0.613 . . . . 74.299999999999997 110.679 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 61.200000000000003 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.95 -43.67 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.099999999999994 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -59.46 -38.99 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 63.100000000000001 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.8 tttp -73.93 -31.64 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.400000000000006 110.889 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -64.46 -37.41 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 42.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.6 -32.36 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.099999999999994 111.111 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.57 -44.75 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.643 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -63.34 -45.7 90.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.74 91.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 54.299999999999997 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 m -60.3 -43.43 96.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 62.299999999999997 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -73.67 -31.61 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.299999999999997 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -70.01 -47.44 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.200000000000003 111.148 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.88 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.299999999999997 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.06 -32.01 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 51.299999999999997 110.673 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.24 -52.46 33.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.421 -0.354 . . . . 75.200000000000003 110.91 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.71 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.099999999999994 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.27 -32.08 70.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.163 0.506 . . . . 73.5 111.005 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.77 43.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 72.299999999999997 111.004 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.16 -28.71 0.58 Allowed Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.738 -0.744 . . . . 43.200000000000003 112.573 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -73.81 112.16 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 73.099999999999994 110.927 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.95 -41.62 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.099999999999994 110.939 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -56.84 16.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.764 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.87 -34.6 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.23 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.400000000000006 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 76' ' ' LYS . 36.7 tp -60.35 -52.31 65.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.915 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.78 -33.8 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 64.299999999999997 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 27.1 mt -72.29 -39.83 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 54.299999999999997 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.9 m-85 -60.31 -46.92 88.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.200000000000003 110.897 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -61.24 -39.33 89.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.299999999999997 110.903 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.89 -46.76 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.099999999999994 110.845 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.91 -42.52 94.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 61.200000000000003 111.115 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -64.15 -32.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 62.5 111.082 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -67.84 -48.56 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.200000000000003 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 47' ' ' VAL . 69.7 m-85 -73.3 -37.03 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.915 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m-85 -60.38 -46.89 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.914 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.72 -31.65 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -60.49 -36.46 78.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 61.299999999999997 110.871 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -74.98 -44.8 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -65.53 -36.17 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 64.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -74.72 -37.62 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.5 110.904 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -80.91 -67.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.200000000000003 110.917 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -171.96 99.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.299999999999997 110.922 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -74.77 -176.28 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.099999999999994 111.106 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.596 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -170.81 -161.64 21.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 74.299999999999997 112.504 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.43 -56.93 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 62.5 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -60.36 -31.6 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 63.299999999999997 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -64.48 -45.67 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.091 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -60.24 -43.37 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.400000000000006 110.864 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.58 -32.99 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 110.932 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -40.09 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.399999999999999 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 48' ' ' VAL . 38.4 mt -73.91 -33.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 73.200000000000003 111.128 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -60.26 -45.73 92.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.200000000000003 110.889 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.14 -35.11 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.059 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -73.96 -43.38 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.099999999999994 110.914 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 -31.36 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.9 t -84.58 -31.6 24.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.04 -48.13 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.0 -42.98 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.894 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 41' ' ' VAL . 16.5 mt -60.32 -31.92 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 70.5 110.92 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.49 -50.13 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.400000000000006 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -64.73 -50.77 65.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -60.0 -38.2 81.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 62.399999999999999 111.097 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.58 -48.57 81.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.949 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -35.03 68.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.189 -0.459 . . . . 65.299999999999997 111.125 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.33 -52.06 67.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 54.399999999999999 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.3 ptmm? -67.73 -27.73 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 75.400000000000006 110.693 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -57.09 12.79 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.859 0.362 . . . . 61.200000000000003 111.103 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.2 p90 -67.22 -36.07 80.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 71.200000000000003 111.024 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 70.4 mt -62.89 -32.68 73.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.308 -0.406 . . . . 73.299999999999997 110.919 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -86.22 -31.44 21.71 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 115.806 -0.634 . . . . 75.400000000000006 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.9 -0.591 . . . . 74.5 110.67 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 74.299999999999997 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -72.95 -37.89 66.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 65.200000000000003 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.400000000000006 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -74.8 -39.76 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.099999999999994 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.4 -39.19 86.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 111.12 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.52 -36.33 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 71.200000000000003 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.6 mt -73.98 -38.5 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.099999999999994 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.504 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.28 -38.35 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.099999999999994 111.139 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -74.19 -48.14 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.100000000000001 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -65.24 -45.32 85.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.063 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -59.94 -47.25 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 72.299999999999997 111.102 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.07 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 111.074 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -79.11 -32.39 44.56 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.168 -0.469 . . . . 62.399999999999999 111.068 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.17 -52.64 46.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 65.400000000000006 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.94 -45.08 96.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -65.48 -31.97 73.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.099999999999994 110.787 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.85 46.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.159 0.504 . . . . 61.200000000000003 111.292 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.79 -30.63 0.4 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.387 -0.911 . . . . 52.299999999999997 112.283 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -73.99 113.81 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.673 -0.31 . . . . 74.299999999999997 111.22 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -101.42 -41.37 6.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.819 0.342 . . . . 74.5 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -61.68 -52.91 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 111.235 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -40.54 95.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.404 -0.362 . . . . 53.5 110.92 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -64.15 -36.18 83.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.105 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 76' ' ' LYS . 62.8 tp -60.34 -48.74 80.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 62.5 110.865 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.07 -33.02 73.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 52.299999999999997 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 33' ' ' ALA . 9.9 mt -74.88 -39.35 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 63.299999999999997 110.901 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -60.37 -35.57 76.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -71.05 -44.86 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.675 ' HB3' HD13 ' A' ' 17' ' ' LEU . 13.7 m170 -60.32 -41.8 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.299999999999997 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -44.12 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 55.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.3 t -68.3 -33.67 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.200000000000003 111.076 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.74 -47.21 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.299999999999997 110.887 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.4 m-85 -70.43 -37.56 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.200000000000003 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 5.2 m-85 -63.39 -55.06 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.299999999999997 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.29 -31.94 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 110.931 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -62.63 -35.4 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.5 110.934 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.7 t -75.36 -46.3 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.400000000000006 111.026 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.53 -36.18 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 52.399999999999999 111.087 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -72.08 -44.87 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -73.41 -69.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -169.22 94.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 62.399999999999999 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -70.19 178.46 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.131 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.76 -67.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.099999999999994 110.926 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -142.7 -176.61 16.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 72.200000000000003 112.466 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.9 -51.3 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 75.099999999999994 110.877 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.61 -31.57 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.299999999999997 110.885 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -66.07 -42.66 89.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.299999999999997 111.098 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -60.47 -47.94 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.200000000000003 110.94 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -36.86 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.400000000000006 110.864 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -65.07 -45.59 84.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 74.200000000000003 110.932 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -69.22 -33.97 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 75.200000000000003 111.057 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -58.82 -40.22 83.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.200000000000003 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.32 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.099999999999994 111.043 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -75.16 -42.73 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.400000000000006 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.399999999999999 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -81.77 -31.5 31.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 55.299999999999997 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -71.43 -48.03 52.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 64.200000000000003 110.897 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 28.4 m-85 -68.09 -37.61 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.299999999999997 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.29 -41.73 93.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.06 -41.07 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.400000000000006 110.931 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -68.0 -39.15 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 65.400000000000006 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -76.85 -34.13 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.400000000000006 111.103 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.29 -45.62 92.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -71.29 -38.32 71.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 72.200000000000003 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.8 -51.87 68.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 71.400000000000006 110.824 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.58 -28.2 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.400000000000006 110.901 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -53.85 -57.15 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.031 -0.532 . . . . 74.5 111.329 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.8 p90 -67.94 -34.56 76.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.0 0.428 . . . . 64.099999999999994 110.681 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 68.2 mt -65.7 -34.96 79.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 73.5 110.929 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -78.63 -33.62 47.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.871 -0.604 . . . . 71.299999999999997 111.175 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.966 -0.561 . . . . 64.299999999999997 111.048 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 74.3 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.5 -47.49 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 65.2 110.95 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.29 -33.49 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.936 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 17' ' ' LEU . 28.9 tptt -69.83 -31.66 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.873 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.9 -40.16 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.4 111.09 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.19 -41.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.2 111.081 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -46.68 89.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.1 mt -71.14 -33.48 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.65 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.1 111.107 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.01 -45.82 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.1 110.937 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -65.82 -37.99 87.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -64.29 -46.13 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 72.3 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.32 -34.65 36.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.776 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 13.5 mm-40 -64.86 -47.74 76.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.29 -0.414 . . . . 65.4 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.51 -43.69 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.95 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -68.48 -32.07 71.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.709 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.19 -44.67 45.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.613 -0.267 . . . . 61.2 110.991 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.3 -33.21 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.365 -0.921 . . . . 52.3 112.047 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -74.06 118.67 17.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.73 0.3 . . . . 74.3 110.839 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -105.66 -36.51 7.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 74.5 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.24 -53.73 54.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.806 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.29 -33.72 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 53.5 110.737 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -70.03 -37.07 75.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.5 111.108 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.3 tp -60.44 -52.38 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.6 -31.7 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 52.3 110.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD23 ' A' ' 17' ' ' LEU . 21.8 mt -73.99 -37.71 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 63.3 110.915 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.7 m-85 -60.4 -43.53 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.81 -38.5 86.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -61.18 -45.11 95.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 61.3 110.892 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.44 -40.16 85.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 55.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.1 t -71.94 -32.07 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.2 111.069 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -43.35 87.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 61.3 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.3 m-85 -75.32 -38.57 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.1 m-85 -60.25 -51.29 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.857 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.35 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.1 t60 -60.78 -37.29 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -74.54 -48.85 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.693 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -59.96 -37.28 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 52.4 111.11 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -73.93 -46.58 43.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.5 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.9 m-85 -71.74 -73.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 63.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -159.22 96.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 62.4 110.93 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -69.79 -177.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 44.5 111.131 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -81.8 -44.3 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 75.1 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.504 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.98 -176.46 39.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 72.2 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -60.16 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 75.1 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -60.25 -31.63 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.905 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -63.37 -44.58 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.09 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 23.4 mttt -60.18 -43.01 96.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.939 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.905 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -39.72 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.693 HD12 HG22 ' A' ' 48' ' ' VAL . 30.4 mt -72.54 -34.03 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.2 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -60.32 -44.29 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 74.2 110.857 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.38 -35.46 75.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.1 111.072 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -74.57 -42.76 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.85 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.17 -31.51 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 50.4 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.83 -31.59 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 55.3 110.941 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -50.72 65.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 64.2 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -69.61 -38.93 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.36 -39.97 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.73 -40.86 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -69.51 -51.15 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 65.4 110.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -64.63 -34.15 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.096 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -72.16 -37.66 69.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.993 -0.548 . . . . 72.2 110.97 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -52.04 67.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.956 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 34' ' ' LEU . 28.7 pttt -65.66 -27.94 68.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 73.4 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.99 -55.56 31.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.049 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -74.83 -36.87 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 64.1 110.771 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.439 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 21.3 mt -60.15 -36.63 77.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 73.5 111.066 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -32.66 38.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.81 -0.632 . . . . 71.3 111.086 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.501 -0.318 . . . . 64.3 110.797 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 47' ' ' VAL . 17.8 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.801 0.334 . . . . 75.4 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.25 -44.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.41 -31.61 70.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 17' ' ' LEU . 14.2 tptt -73.62 -35.02 65.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.929 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -68.35 -36.5 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.8 -42.19 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.4 111.159 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 62.1 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 13' ' ' LYS . 7.3 mt -73.17 -33.52 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.941 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.1 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.095 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.5 m -60.41 -48.11 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -60.45 -40.91 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.96 -48.24 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 52.5 111.123 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.89 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 54.2 111.115 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -34.26 47.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.143 -0.48 . . . . 55.3 111.157 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 20.9 mm-40 -64.25 -51.27 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.493 . . . . 54.3 110.905 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.36 -50.98 71.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 63.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -61.58 -32.18 72.27 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.888 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.82 62.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 72.5 111.049 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.73 -28.43 2.53 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.706 -0.759 . . . . 50.1 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.02 107.82 7.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 61.2 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -95.2 -40.76 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.4 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -54.53 45.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.3 111.053 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -39.98 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.7 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.48 -36.22 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 63.2 111.092 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 76' ' ' LYS . 34.8 tp -60.29 -50.49 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.857 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.97 -31.65 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.1 110.938 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' HD23 ' A' ' 17' ' ' LEU . 17.9 mt -73.23 -39.57 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 72.4 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.686 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.8 m-85 -60.31 -42.67 96.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.41 -40.87 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 55.4 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.69 -44.36 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.4 110.9 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.83 -41.85 92.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.8 -34.84 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 52.1 111.076 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.26 -49.04 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.2 m-85 -70.42 -38.55 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.4 110.951 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' HG23 ' A' ' 61' ' ' ILE . 5.1 m-85 -60.33 -56.96 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.919 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.33 -31.58 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 51.5 t60 -60.36 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.74 -42.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.1 111.169 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.44 -42.57 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -38.35 77.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.914 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.9 m-85 -81.14 -68.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.946 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -168.16 101.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.92 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.56 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -76.77 -176.16 3.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 43.5 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -78.03 -53.71 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 54.2 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.578 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.57 -173.86 34.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 50.3 112.499 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -54.91 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 75.2 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -60.37 -34.07 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.5 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.578 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -67.18 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.3 111.083 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 40.9 mttt -60.3 -44.87 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.3 110.93 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -60.38 -32.94 71.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.911 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.2 t -67.97 -44.2 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.939 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 44' ' ' PHE . 29.8 mt -72.57 -33.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -60.41 -43.76 96.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.31 -36.28 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 63.3 111.138 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -74.4 -42.74 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.14 -31.15 69.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.2 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -83.43 -31.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.94 -47.72 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.05 -41.33 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.4 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.32 -36.25 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.1 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.73 -37.83 64.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -72.28 -34.29 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -80.65 -34.01 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.115 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.1 -44.96 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -37.14 64.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 73.1 110.722 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.16 -52.3 66.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 61.3 110.859 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB3' HD21 ' A' ' 34' ' ' LEU . 8.2 pttp -67.69 -27.97 67.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.035 -0.529 . . . . 74.3 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.01 -57.15 12.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 75.4 111.241 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.6 p90 -67.51 -36.15 80.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 71.5 110.836 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.449 HD12 HD22 ' A' ' 34' ' ' LEU . 66.0 mt -63.2 -35.34 79.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.083 -0.508 . . . . 71.3 111.031 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -80.02 -31.19 39.64 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.0 -0.545 . . . . 71.3 110.955 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.32 . . . . 52.1 110.668 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 72.1 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.3 -49.42 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.3 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -60.31 -31.56 70.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HG3' HD12 ' A' ' 17' ' ' LEU . 13.2 tptm -73.46 -31.59 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -73.33 -36.54 66.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.73 -41.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.24 -46.2 91.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.941 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.7 mt -71.25 -34.39 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.49 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.5 111.119 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -41.4 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.4 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -32.39 72.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 62.3 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -68.7 -47.53 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.086 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -33.92 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.3 111.128 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.11 -31.7 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.4 111.035 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.63 -50.03 54.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 61.2 110.876 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.61 -38.07 86.21 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.722 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.71 -43.43 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.2 111.02 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.69 -31.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.762 -0.732 . . . . 52.3 112.446 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -69.62 115.62 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 63.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.476 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.05 -39.48 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 61.2 110.934 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.23 -47.32 86.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.182 -0.463 . . . . 60.1 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.2 tp10 -71.35 -34.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 70.3 110.605 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.77 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 54.1 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 76' ' ' LYS . 60.3 tp -60.3 -55.22 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 53.3 110.926 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.29 -31.62 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.936 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 22.5 mt -73.12 -38.86 66.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.922 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 17.5 m-85 -60.32 -37.76 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.887 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.77 -39.85 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 73.1 110.901 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.57 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.96 -43.94 98.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -45.54 92.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.3 111.096 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -64.51 -35.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 53.4 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.864 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.607 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 61.9 m-85 -71.94 -37.19 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.861 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 4.2 m-85 -60.35 -55.88 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 60.1 110.854 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.1 mt -60.47 -31.56 70.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 53.2 110.9 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 35.2 t60 -61.29 -35.8 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.928 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -75.63 -52.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 54.5 111.103 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -59.94 -36.13 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.1 111.101 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 5.5 ttpt -74.25 -39.47 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.7 m-85 -80.93 -73.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.2 110.913 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.2 97.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.587 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.45 -176.12 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.3 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.29 -49.57 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.565 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.5 -171.22 36.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 64.3 112.505 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -60.37 -53.23 60.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 73.1 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -60.36 -31.54 70.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -74.22 -45.43 48.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 63.5 111.054 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 37.5 mttm -60.31 -51.34 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -60.35 -32.96 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.5 110.895 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -65.87 -45.45 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.4 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.33 -34.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.043 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -59.52 -49.54 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.52 -31.18 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 53.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -75.8 -43.22 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -60.16 -31.0 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -82.94 -31.57 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.917 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -71.15 -48.16 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.3 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -66.65 -42.89 85.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' A' ' 41' ' ' VAL . 14.2 mt -60.44 -34.51 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.894 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.09 -42.55 89.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -74.46 -35.56 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.934 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -77.67 -37.33 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 60.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.3 -47.09 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.898 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -71.37 -34.65 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 54.3 110.748 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -61.42 -52.1 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.4 -0.364 . . . . 74.3 110.823 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.673 ' HB3' HD21 ' A' ' 34' ' ' LEU . 11.2 pttt -67.58 -27.96 67.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.922 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -53.52 56.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.427 . . . . 74.4 110.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.2 p90 -76.16 -36.98 58.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 75.3 110.752 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 34' ' ' LEU . 18.0 mt -59.67 -43.47 93.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 73.4 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 73.1 111.147 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.849 0.357 . . . . 73.3 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -73.89 -36.68 64.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.37 -45.18 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -68.27 -33.91 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.957 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.37 -39.33 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.4 111.089 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.77 -31.23 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 55.1 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.26 -44.84 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.898 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 11.5 mt -68.4 -41.06 81.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.885 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.5 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 70.1 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -63.32 -39.2 93.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 44.3 110.912 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -73.27 -33.78 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 70.3 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.77 -49.75 60.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.14 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 70.1 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.85 -31.44 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.5 111.156 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.49 -52.71 29.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.889 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD1' HD21 ' A' ' 75' ' ' LEU . 11.8 t70 -63.38 -40.57 97.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 63.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.68 -32.27 73.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.032 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.61 -30.86 52.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.945 -0.57 . . . . 63.5 111.116 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.25 -28.56 1.95 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 54.5 112.745 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.78 105.09 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.4 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.523 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -95.31 -41.14 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.2 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.41 -58.14 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 70.5 110.819 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.6 -33.86 73.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.788 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.14 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.4 111.158 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 76' ' ' LYS . 39.2 tp -60.4 -49.79 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 63.5 110.914 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.29 -33.08 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.84 -38.16 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.901 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.2 m-85 -60.37 -38.19 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.907 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.757 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.8 m170 -60.35 -45.42 93.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.1 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.5 94.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 64.4 111.064 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.1 t -66.0 -33.4 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.095 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.1 m-85 -72.29 -37.67 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.28 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.912 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.38 -31.81 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.458 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 31.8 t60 -62.91 -39.15 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.899 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -73.39 -43.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.1 111.043 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.668 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -68.33 -36.99 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 51.4 111.119 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -31.73 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 3.8 m-85 -87.11 -71.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.883 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.86 95.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.934 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.9 -176.21 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 65.1 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -74.34 -49.45 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.5 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.6 -172.26 36.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 65.1 112.572 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.53 -54.05 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 75.4 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.3 -35.19 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 52.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.52 -45.53 83.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.086 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -60.14 -43.6 95.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 65.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -60.32 -32.99 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 54.3 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -39.93 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 60.2 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 48' ' ' VAL . 39.2 mt -74.0 -34.04 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.3 111.075 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -60.29 -46.94 88.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.39 -34.53 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -74.23 -43.14 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.969 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.9 m -60.07 -31.12 69.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.4 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.0 t -83.96 -31.53 25.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 62.1 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.41 -47.97 65.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 61.4 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.57 -41.51 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 65' ' ' CYS . 14.6 mt -60.35 -38.77 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.2 110.902 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.68 -41.06 75.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.923 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -70.49 -48.16 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -63.67 -35.68 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.094 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.97 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -68.62 -36.5 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.5 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -62.91 -52.07 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.4 110.806 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.65 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 pttp -64.66 -27.73 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.744 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.96 -52.33 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.729 0.299 . . . . 72.4 110.85 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.0 p90 -83.11 -37.19 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.261 0.553 . . . . 74.3 111.19 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -59.85 -32.67 70.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.805 -0.634 . . . . 53.2 110.964 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -84.53 -37.54 21.13 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.857 0.36 . . . . 72.1 110.778 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.732 0.301 . . . . 75.2 110.668 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.761 0.315 . . . . 73.5 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' OE1' ' A' ' 53' ' ' GLN . 6.9 tp -68.68 -45.61 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.886 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -74.37 -31.66 62.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.2 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.22 -35.07 71.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 70.3 111.1 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.75 -37.6 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 55.3 111.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.57 -45.18 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.3 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.8 mt -73.99 -36.9 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.4 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 51.4 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -66.55 -42.59 86.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.3 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -68.64 -35.61 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.3 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.19 -47.93 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.1 111.096 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.62 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.5 111.091 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -76.23 -31.62 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -52.68 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.896 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.708 ' OD2' HD21 ' A' ' 75' ' ' LEU . 6.6 t0 -61.8 -44.95 95.85 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -68.34 -31.53 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.71 -42.07 59.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.488 -0.323 . . . . 74.1 110.856 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.97 -30.43 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.594 -0.812 . . . . 63.5 112.761 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -73.52 120.86 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 64.5 110.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -105.6 -40.93 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 74.1 110.974 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 71.1 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.17 -39.99 94.52 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.337 -0.392 . . . . 74.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -62.57 -37.08 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 32.3 111.094 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 76' ' ' LYS . 62.0 tp -60.3 -49.38 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.872 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -66.57 -31.91 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 54.1 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 33.6 mt -74.49 -40.77 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.7 m-85 -60.5 -39.29 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.32 -42.41 83.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 62.3 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.737 ' HB3' HD13 ' A' ' 17' ' ' LEU . 10.3 m170 -61.12 -43.92 98.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.4 110.923 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.28 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 62.1 111.125 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.9 t -66.44 -33.65 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.079 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -65.58 -49.55 68.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.4 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 67.8 m-85 -69.03 -37.93 78.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.909 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.0 m-85 -62.25 -56.75 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.54 -31.85 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 61.3 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -61.71 -35.38 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -78.83 -42.83 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 60.2 111.093 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -67.1 -39.43 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.073 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -32.56 66.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -86.56 -68.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -167.28 96.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 70.2 110.923 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -65.53 -169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 71.3 111.063 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -88.11 -40.13 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.4 110.905 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.79 -178.03 41.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 60.2 112.473 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.63 -49.87 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.792 0.33 . . . . 65.3 110.92 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -69.04 -32.32 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.4 110.915 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.91 -44.18 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.4 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -60.48 -45.29 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -32.98 71.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.907 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -67.18 -42.01 84.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.3 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -72.82 -34.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.091 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -60.21 -44.85 94.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.463 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.1 -35.4 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 55.1 111.134 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.25 -42.61 59.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.902 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -60.27 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 51.4 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -83.38 -31.69 26.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.881 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -71.56 -48.31 49.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.45 -41.01 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.39 -36.29 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.52 -43.43 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 5.7 tpt180 -67.07 -51.16 57.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.1 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -59.79 -38.89 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 62.2 111.077 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.6 -36.62 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.891 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -72.73 -44.38 61.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 64.2 110.479 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.708 HD21 ' OD2' ' A' ' 25' ' ' ASP . 9.1 mp -58.64 -51.71 68.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 64.3 110.829 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 34' ' ' LEU . 23.1 pttt -62.87 -27.94 69.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.5 110.758 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -57.63 -55.23 37.55 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.467 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.7 p90 -78.23 -33.22 49.93 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.367 -0.379 . . . . 70.3 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 51.3 mt -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 73.4 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -83.54 -33.24 25.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.878 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 74.2 111.092 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 74.5 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.564 ' HB2' HG21 ' A' ' 47' ' ' VAL . 8.7 tp -73.67 -36.24 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.913 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.37 -39.92 88.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 61.5 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.741 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttt -72.7 -34.9 67.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 55.3 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.68 80.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 64.4 111.136 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.76 -31.24 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.4 111.157 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.15 -44.58 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 13' ' ' LYS . 7.2 mt -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.898 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -63.12 -47.51 82.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 62.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -42.53 96.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -71.44 -37.79 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -63.44 -47.05 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 75.3 111.074 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.76 -31.93 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.34 -52.71 24.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.35 -0.386 . . . . 74.5 110.95 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.35 -49.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.858 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.0 -31.97 70.42 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 116.222 -0.445 . . . . 51.4 110.79 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -39.5 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.499 -0.319 . . . . 75.0 110.8 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.55 -29.23 0.85 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 75.4 112.344 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -72.3 106.7 4.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.625 0.25 . . . . 71.1 111.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -96.13 -40.85 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 72.0 111.272 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.53 -54.14 49.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 73.5 110.666 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.25 -43.28 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 73.4 111.03 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.28 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.06 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 76' ' ' LYS . 54.1 tp -60.3 -52.9 63.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 63.2 110.892 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.96 -32.13 71.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 40.5 mt -73.3 -39.32 65.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.879 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 m-85 -60.51 -40.75 92.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.3 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -65.74 -43.69 88.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.1 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.735 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.941 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.79 -46.76 88.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.3 111.095 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.57 -37.03 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.3 111.082 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.57 -47.63 80.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.1 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 55.6 m-85 -73.38 -38.17 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 m-85 -60.28 -53.5 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.17 -31.39 71.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.92 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.456 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 54.7 t60 -60.16 -38.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LEU . 21.6 t -77.25 -50.15 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.1 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -60.27 -36.15 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.1 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -40.03 56.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.0 m-85 -78.11 -73.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.898 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -161.85 98.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 65.5 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.23 -169.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 75.3 111.12 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 4.1 mp0 -91.46 -41.87 10.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.05 -179.88 41.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 71.2 112.491 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -60.28 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 63.4 110.916 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -67.9 -31.51 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 42.2 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.3 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 25.6 mttm -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.1 110.908 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -60.12 -32.99 71.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.4 110.921 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 t -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 51.3 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 HG22 ' A' ' 48' ' ' VAL . 30.6 mt -72.21 -33.95 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -60.29 -42.72 96.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.15 -36.39 74.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.111 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 26.7 mtmt -75.03 -40.87 60.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 75.5 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.85 -31.17 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 53.5 110.957 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.38 -31.62 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.913 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.65 -48.46 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.4 m-85 -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -36.54 78.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.05 -41.87 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -72.74 -49.79 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.57 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.089 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 -45.95 90.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 52.2 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.61 -38.01 62.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.002 -0.545 . . . . 63.2 110.659 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.0 -52.1 66.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.387 -0.37 . . . . 63.2 110.939 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.652 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.1 pttp -67.83 -27.86 67.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.151 -0.477 . . . . 63.2 110.896 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.67 -56.73 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 73.2 111.209 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.1 p90 -67.41 -36.4 81.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.536 -0.302 . . . . 73.1 110.757 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.515 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -63.0 -36.54 83.87 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.035 -0.529 . . . . 71.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -82.03 -31.49 30.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.725 0.297 . . . . 72.3 110.92 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 62.1 110.892 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 74.2 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.14 -41.93 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 70.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -31.55 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.912 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -82.31 -31.57 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.918 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.88 -39.03 87.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 44.2 111.107 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.33 -38.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 64.5 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.49 -44.97 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.3 mt -73.29 -39.19 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.879 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.72 98.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 72.2 111.085 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -63.37 -41.97 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.2 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -68.93 -40.65 78.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -61.82 -45.83 92.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.121 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.42 73.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 33.1 111.091 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -36.4 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 72.4 110.937 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.39 -46.04 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.316 -0.402 . . . . 72.1 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD2' HD11 ' A' ' 75' ' ' LEU . 13.8 t0 -64.67 -51.04 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 64.5 110.792 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -41.06 64.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 73.1 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.63 -29.05 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.701 -0.762 . . . . 64.1 112.584 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -73.6 116.38 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.61 -0.347 . . . . 60.4 110.932 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -104.01 -41.83 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.93 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.5 -52.72 63.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.57 -43.28 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.3 111.058 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.24 81.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 54.2 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.9 tp -60.4 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.2 110.91 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.35 -33.3 75.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.93 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 30.7 mt -72.57 -37.27 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 34.2 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.599 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 14.9 m-85 -60.34 -47.05 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 62.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -62.48 -40.1 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.912 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.555 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.78 -43.13 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.938 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.37 -41.3 89.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.093 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -67.74 -37.3 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.3 111.089 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -60.22 -47.98 83.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 m-85 -72.44 -38.5 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.917 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.37 -52.6 64.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.2 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -34.44 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.873 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.56 -38.99 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.863 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 52' ' ' ALA . 30.3 t -62.11 -52.57 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 52.1 111.063 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.756 HG13 ' HG2' ' A' ' 58' ' ' LYS . 21.5 t -73.03 -36.04 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 71.3 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.75 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -104.29 -61.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.3 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.61 105.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 65.2 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -83.97 -169.84 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.2 111.097 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -61.84 -42.15 98.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.1 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.17 -150.43 7.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.739 . . . . 75.1 112.505 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -81.24 -56.19 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 72.2 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -60.1 -33.67 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.913 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.99 97.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.5 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.756 ' HG2' HG13 ' A' ' 48' ' ' VAL . 65.0 mttt -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.11 -33.02 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -69.97 -37.0 75.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.917 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 48' ' ' VAL . 38.8 mt -73.89 -33.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.2 111.062 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -60.8 -48.04 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.28 -32.27 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.066 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -76.16 -43.01 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.896 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 m -60.15 -30.9 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.2 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -82.41 -31.53 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.3 110.865 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.2 -47.65 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -69.15 -41.34 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.925 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.34 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.1 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.88 -37.32 84.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.39 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 54.2 111.062 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.86 -43.25 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.1 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.33 -37.74 63.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.947 -0.57 . . . . 75.2 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.519 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.04 -52.45 65.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.221 0.534 . . . . 62.3 110.875 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HB3' HD21 ' A' ' 34' ' ' LEU . 3.1 ptmt -67.62 -28.12 67.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 72.4 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.99 -56.98 12.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.094 -0.503 . . . . 54.3 111.263 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.82 -36.13 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.4 110.626 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 34' ' ' LEU . 72.0 mt -62.9 -34.96 78.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.5 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -81.52 -31.7 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 54.2 111.105 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 74.4 110.965 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 61.1 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.9 -46.08 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -32.9 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -73.2 -32.47 64.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.92 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -70.72 -36.58 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.4 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.81 -36.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.108 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -44.8 96.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 51.1 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 39' ' ' HIS . 8.0 mt -71.61 -37.14 70.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.1 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.74 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -67.28 -43.4 81.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 63.1 110.899 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -69.24 -40.93 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.91 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 72.5 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.6 82.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.2 -0.454 . . . . 71.3 111.038 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.33 -52.68 63.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.16 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 61.4 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -61.89 -35.64 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.19 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 70.0 111.32 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.91 34.8 0.94 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.625 -0.798 . . . . 34.3 112.461 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -131.32 93.25 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 70.2 110.839 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.34 -31.31 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.897 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -67.14 -55.19 15.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp10 -67.27 -42.4 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.877 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.2 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' A' ' 79' ' ' LEU . 65.6 tp -60.03 -51.76 68.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 70.1 110.856 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.08 -30.97 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' CD2' ' A' ' 17' ' ' LEU . 11.1 mt -75.29 -40.16 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 60.4 110.908 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 41' ' ' VAL . 12.9 m-85 -59.45 -39.22 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.56 -39.05 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.761 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.59 -46.21 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.64 -42.45 92.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 54.4 111.111 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -65.37 -35.75 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.83 -49.31 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.584 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.3 m-85 -68.75 -35.76 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.934 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 6.0 m-85 -63.45 -54.17 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.5 110.925 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.67 -31.59 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 63.3 110.865 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 42.3 t60 -60.28 -40.95 92.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 64.1 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -70.58 -34.21 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.4 111.106 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -77.56 -36.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.3 111.133 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -40.85 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.885 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.6 m-85 -78.98 -72.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -166.36 98.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -71.63 -169.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.4 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.04 -54.8 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 62.5 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -159.01 -176.52 31.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 63.1 112.542 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -60.36 -49.21 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 62.5 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -36.56 83.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.924 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.86 -42.39 99.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.5 111.092 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 30.3 mttt -60.31 -43.89 95.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.922 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.37 -32.98 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.3 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.2 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 48' ' ' VAL . 34.4 mt -69.95 -33.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.5 111.057 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -62.22 -41.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.62 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 53.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -83.01 -38.32 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 75.5 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.92 -30.98 72.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 64.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 t -86.4 -29.73 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.28 -47.38 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.824 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -73.98 -40.45 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 73.2 110.936 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 41' ' ' VAL . 18.0 mt -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 70.3 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.81 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 75' ' ' LEU . 13.2 mtp85 -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 74.2 110.886 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -75.84 -35.42 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.102 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.13 -40.8 91.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 65.1 110.903 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -72.77 -37.79 67.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 75.2 110.618 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -59.43 -52.06 67.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 70.1 110.849 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 pttm -65.57 -28.04 68.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.64 -54.42 46.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.262 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -76.86 -37.71 55.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.353 -0.385 . . . . 62.1 110.922 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.696 HD12 HD22 ' A' ' 34' ' ' LEU . 23.0 mt -59.0 -30.28 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 71.1 111.028 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -87.28 -31.21 20.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 75.3 110.867 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 65.2 110.88 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.333 . . . . 75.3 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -74.33 -38.64 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 45.2 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -38.03 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.1 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.45 -35.53 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 63.3 110.871 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.95 -39.19 84.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 61.5 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.79 -31.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.2 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.59 -46.76 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.1 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.0 mt -64.93 -40.5 95.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.881 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.85 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.2 111.101 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.94 -31.7 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -68.52 -48.3 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.2 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.89 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.18 -35.12 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.937 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.4 -48.27 76.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.795 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.26 -44.72 87.19 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -62.44 -31.94 72.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.142 -0.481 . . . . 65.4 110.959 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.43 -44.11 53.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 70.3 111.326 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.67 -30.87 0.62 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.805 -0.712 . . . . 52.2 112.489 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -71.17 118.64 14.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.565 0.222 . . . . 64.2 111.37 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -106.57 -35.95 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 73.4 110.905 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.02 -53.66 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.5 110.838 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.16 -32.83 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 71.4 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.35 -39.7 77.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 72.1 111.102 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 76' ' ' LYS . 56.1 tp -60.3 -52.25 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 62.2 110.91 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.53 -31.67 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.2 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 23.1 mt -73.65 -40.99 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.8 m-85 -60.32 -38.34 83.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.943 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -69.09 -41.55 77.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.4 110.92 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.721 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.5 m170 -60.78 -44.25 97.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.81 -47.06 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 70.4 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.31 -33.1 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 55.2 111.111 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.8 -49.97 68.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.1 m-85 -72.08 -36.26 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.1 110.869 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.6 m-85 -61.24 -56.16 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.89 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.34 -31.62 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 63.4 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 40.3 t60 -60.61 -37.8 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 65.1 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.08 -40.2 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.4 111.139 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -67.92 -39.62 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.125 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -71.76 -54.87 8.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 54.4 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 9.0 m-85 -60.32 -73.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.06 91.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 34.3 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -60.13 -176.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.069 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -84.9 -45.72 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.897 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -179.84 41.2 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 25.3 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.28 -53.0 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 74.3 110.932 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -60.36 -32.78 71.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.4 110.883 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.65 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -60.11 -48.41 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.4 110.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -60.18 -32.98 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 51.2 110.938 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -47.57 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.911 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.438 HG23 ' CD1' ' A' ' 44' ' ' PHE . 32.1 mt -71.29 -33.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.3 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -60.0 -41.41 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.85 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' THR . . . -71.09 -36.42 72.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -76.3 -37.27 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.2 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -64.9 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 54.1 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -80.53 -31.57 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.4 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.59 -47.93 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.4 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.8 -39.75 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.3 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.8 mt -60.57 -43.24 97.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.3 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.24 -47.85 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -69.28 -48.75 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 55.5 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.34 -45.39 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 72.2 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -72.38 -37.36 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.898 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.804 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.805 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.3 pttp -65.94 -28.09 68.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 75.1 110.86 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.11 -54.81 40.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.231 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -74.73 -36.76 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 73.4 111.194 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 22.9 mt -59.71 -35.49 74.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.867 -0.606 . . . . 72.1 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.91 -31.56 22.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.496 . . . . 52.5 111.024 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.852 0.358 . . . . 74.3 110.876 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 61.3 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 HG11 ' A' ' 47' ' ' VAL . 8.8 tp -72.21 -45.17 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 70.1 110.883 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -60.33 -31.6 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 44.4 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.656 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.48 -31.63 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -69.27 -36.81 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.3 111.114 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.56 -38.88 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 71.1 111.114 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.14 -45.67 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 13' ' ' LYS . 6.7 mt -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 61.3 110.904 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.51 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.097 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -61.23 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 53.4 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.43 -37.38 87.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.865 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -65.33 -47.61 75.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 62.4 111.083 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 54.1 111.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -83.0 -31.99 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.635 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.06 -43.38 74.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.462 -0.336 . . . . 71.1 110.904 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.776 ' OD1' HD21 ' A' ' 75' ' ' LEU . 1.4 t70 -69.96 -45.91 66.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.929 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -60.14 -31.86 70.48 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.721 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.72 -32.51 57.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.572 -0.285 . . . . 61.2 111.154 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.93 -28.57 2.13 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.604 -0.808 . . . . 52.0 112.805 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.04 109.91 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 54.5 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.477 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -99.6 -33.66 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.924 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.71 -53.23 35.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.93 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -45.13 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 73.4 110.778 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.23 -36.19 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 60.1 111.094 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.6 tp -60.31 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 65.4 110.89 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -32.08 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -76.45 -37.97 56.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.9 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.8 m-85 -60.5 -43.22 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.26 -43.91 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.529 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m170 -60.44 -42.49 96.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.4 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.23 93.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.141 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.9 t -66.84 -38.37 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 41.4 111.054 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.77 -49.51 77.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.5 m-85 -70.08 -39.78 75.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.13 -55.52 32.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.3 110.897 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.07 -32.91 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.98 -42.92 99.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 52' ' ' ALA . 20.3 t -61.26 -53.25 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.183 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -69.14 -36.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.09 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -32.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.38 -66.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 73.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -158.5 96.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -66.11 -169.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 73.1 111.081 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' NE2' HD22 ' A' ' 11' ' ' LEU . 24.2 mm-40 -90.75 -33.68 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.38 -177.57 46.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 45.2 112.511 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.98 -55.72 30.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.2 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -60.23 -30.97 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -59.66 -53.39 58.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -33.01 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -66.35 -48.01 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.869 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.44 -33.89 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.087 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -59.05 -46.65 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.85 -31.87 71.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.2 111.05 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -76.72 -41.21 46.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -61.92 -30.76 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.3 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.7 t -81.71 -31.34 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.92 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.62 -47.63 46.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.29 -43.24 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 73.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 65' ' ' CYS . 16.4 mt -60.26 -38.73 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 53.3 110.939 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.22 -46.54 89.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.935 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -70.58 -50.59 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 72.2 110.878 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.1 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -74.97 -32.45 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 74.5 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.776 HD21 ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -61.01 -51.83 67.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 62.3 110.845 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB3' HD21 ' A' ' 34' ' ' LEU . 9.6 pttt -69.44 -27.86 65.61 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.129 -0.487 . . . . 63.4 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.69 -54.44 41.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 63.3 111.044 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.477 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 5.3 p90 -70.49 -33.65 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 72.5 110.915 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 34' ' ' LEU . 58.9 mt -67.39 -35.09 78.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.41 -0.359 . . . . 73.5 110.869 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -42.34 31.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.757 -0.656 . . . . 65.1 110.993 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 74.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD22 ' NE2' ' A' ' 53' ' ' GLN . 6.8 tp -72.03 -38.48 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.927 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -60.18 -41.52 93.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.697 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -72.02 -34.82 69.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.926 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.31 84.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.12 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.99 -31.11 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.45 -50.1 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD11 ' HD3' ' A' ' 13' ' ' LYS . 9.7 mt -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.926 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.2 111.089 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -61.44 -38.62 87.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -69.94 -44.9 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.5 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -62.7 -48.98 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.31 75.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 64.4 111.096 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.92 -31.49 31.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.104 0.478 . . . . 73.4 111.186 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.88 -46.6 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 73.4 110.849 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.24 -47.03 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -32.19 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 75.1 110.986 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.26 34.3 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.898 -0.592 . . . . 72.4 110.867 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.78 -29.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.901 -0.666 . . . . 52.2 112.624 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -73.22 112.21 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 63.3 110.888 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -102.87 -38.06 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.881 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.37 -56.26 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.04 -33.73 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.2 110.895 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -69.6 -36.23 76.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 42.1 111.097 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 75' ' ' LEU . 33.2 tp -60.2 -52.45 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.879 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -62.97 -31.52 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.958 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.0 mt -74.45 -38.44 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB1' ' A' ' 21' ' ' ALA . 15.7 m-85 -60.3 -44.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.74 -36.84 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.2 110.918 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.563 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.6 m170 -62.35 -44.44 96.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.1 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.04 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.4 111.12 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.0 t -63.18 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.077 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.03 -46.37 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 m-85 -71.89 -30.81 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.762 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 m-85 -71.18 -50.47 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.88 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.8 mp -60.19 -31.36 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.415 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 62.9 t60 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.929 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -76.09 -43.25 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.044 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.828 HG22 HD12 ' A' ' 61' ' ' ILE . 29.3 t -62.82 -36.11 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 70.1 111.096 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -77.88 -45.36 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.415 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -67.56 -73.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.2 94.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . . . -62.84 -176.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 45.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' NE2' HD22 ' A' ' 11' ' ' LEU . 71.6 mm-40 -82.37 -49.61 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 44.5 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.55 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.87 -176.15 36.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 33.2 112.53 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.55 -49.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 61.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.27 -31.58 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.939 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -70.23 -44.5 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.084 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 18.5 mttm -59.8 -48.44 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.89 -33.09 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 54.4 110.934 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -62.97 -38.97 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.3 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG22 ' A' ' 48' ' ' VAL . 35.0 mt -69.75 -34.02 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.1 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -59.21 -46.19 89.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.903 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 66' ' ' THR . . . -66.66 -36.11 81.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 31.4 mtmt -75.98 -37.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.4 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.6 -31.63 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 50.3 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.2 t -82.35 -31.32 29.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.902 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -72.38 -47.49 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.1 m-85 -69.22 -42.04 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.924 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.16 -50.3 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -61.13 -47.39 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -62.12 -46.45 88.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.872 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -69.92 -37.11 75.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.2 111.1 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.22 -41.89 94.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -43.25 77.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 44.1 111.252 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.544 ' CB ' HD13 ' A' ' 34' ' ' LEU . 2.4 mp -58.47 -52.11 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 74.2 110.839 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -61.64 -27.98 69.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.17 50.1 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.106 -0.497 . . . . 62.1 111.096 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.488 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.3 p90 -81.89 -37.08 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.875 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 19.4 mt -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 70.3 110.93 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -31.86 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.996 -0.547 . . . . 71.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.999 -0.546 . . . . 64.3 110.744 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.841 0.353 . . . . 72.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 47' ' ' VAL . 7.4 tp -76.06 -37.83 57.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 52.3 110.977 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.38 -36.47 78.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttp -75.98 -35.56 59.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.5 110.889 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.52 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.094 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.51 -33.9 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.1 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.13 -50.0 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.777 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.4 mt -62.03 -37.9 86.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -44.24 94.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.094 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -68.88 -43.17 75.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -63.41 -41.79 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 50.3 110.906 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.95 -46.99 87.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.07 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 51.1 111.121 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -77.3 -32.27 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 43.1 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.25 -52.66 25.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.814 ' OD2' HD21 ' A' ' 75' ' ' LEU . 9.8 t70 -63.65 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.4 110.879 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -74.29 -28.47 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.935 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.49 23.6 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 54.2 111.342 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.48 -40.39 2.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 73.5 112.609 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -57.15 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.251 . . . . 74.4 111.3 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 2.5 m-85 -89.88 -43.53 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 72.5 110.89 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.34 -54.79 41.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 64.2 111.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.73 -31.95 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 74.4 110.911 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -70.66 -37.72 73.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 64.4 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 76' ' ' LYS . 53.6 tp -60.09 -44.39 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 75.2 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.82 -35.3 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.2 mt -74.89 -39.31 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.614 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.9 m-85 -60.51 -45.88 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.05 -38.56 91.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.28 -47.19 87.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.2 110.918 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -57.72 -45.21 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.158 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.9 t -63.5 -42.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.1 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -60.26 -45.2 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.4 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.785 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.0 m-85 -71.11 -31.71 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.879 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.5 m-85 -72.49 -49.85 30.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 41' ' ' VAL . 8.0 mp -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 60.3 110.861 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 65.0 t60 -69.88 -39.85 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.895 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.5 t -70.41 -54.26 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 61.3 111.113 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 61' ' ' ILE . 21.6 t -59.84 -41.9 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.5 111.109 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 50' ' ' TYR . 13.3 ttpp -66.29 -36.77 83.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.7 m-85 -82.46 -69.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.4 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -169.37 92.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.866 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -59.64 -169.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 55.3 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' NE2' HD21 ' A' ' 11' ' ' LEU . 11.5 mt-30 -74.75 -46.76 35.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.882 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.42 -103.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 74.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -125.6 -59.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 75.1 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.87 -31.86 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.19 93.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.047 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 29.5 mttt -60.09 -41.11 91.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.911 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.18 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -66.98 -36.18 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 48' ' ' VAL . 42.5 mt -71.97 -34.0 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 42.5 111.077 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -60.19 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 61.4 110.827 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 66' ' ' THR . . . -64.09 -33.76 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.2 111.083 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 52.1 mtmt -76.59 -39.39 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -30.33 68.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.4 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -84.08 -31.3 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 53.3 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.53 -47.54 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.903 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 16.4 m-85 -72.01 -38.3 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.954 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 17.2 mt -62.42 -48.65 78.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.925 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.15 -39.05 88.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.653 ' O ' HD13 ' A' ' 75' ' ' LEU . 15.8 ttt180 -73.86 -49.29 25.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.2 110.885 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.37 -41.53 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 62.5 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.24 -39.3 86.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -42.24 63.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.14 -0.482 . . . . 61.3 110.642 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.814 HD21 ' OD2' ' A' ' 25' ' ' ASP . 7.6 mp -58.14 -52.08 67.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 74.5 110.895 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.2 ptmt -64.3 -27.93 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.853 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -56.77 17.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.162 -0.472 . . . . 52.0 111.083 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 3.7 p90 -73.1 -35.88 66.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.471 -0.331 . . . . 75.4 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 64.7 mt -63.6 -31.14 72.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.091 -0.504 . . . . 73.4 110.99 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -79.61 -42.67 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 64.1 110.95 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 72.2 110.73 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 52.1 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.64 -35.13 60.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 34.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -32.06 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.895 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -38.51 29.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.89 -39.87 86.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.3 111.114 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.14 -35.55 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 111.16 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.12 -40.55 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 53.4 110.859 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.5 mt -73.7 -36.52 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.906 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.27 91.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.2 111.076 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.15 -40.93 74.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.4 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.26 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 62.1 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -61.98 -50.48 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 33.3 111.052 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.66 73.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.2 111.126 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -78.95 -31.69 45.18 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.171 -0.468 . . . . 72.4 111.316 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.32 -50.41 53.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 70.0 110.948 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.51 -50.52 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.898 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -61.65 -31.43 71.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.81 69.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.201 0.525 . . . . 72.4 111.504 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.45 -31.66 2.02 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.566 -0.826 . . . . 44.2 112.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.34 116.9 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 71.5 111.056 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.478 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -102.24 -34.81 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.1 110.894 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -60.15 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 71.4 110.749 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.96 -35.52 78.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 61.2 110.929 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -67.41 -38.28 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 62.2 111.103 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.7 tp -60.28 -50.93 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.4 110.912 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.05 -31.57 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.1 mt -73.82 -41.65 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.912 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.9 m-85 -60.4 -34.36 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.91 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -72.62 -44.34 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.76 ' HB3' HD13 ' A' ' 17' ' ' LEU . 16.4 m170 -60.46 -43.93 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.04 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.4 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.7 t -66.25 -33.32 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.105 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -67.39 -47.12 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.1 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.617 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 67.4 m-85 -73.28 -37.89 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.89 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.51 -56.19 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 75.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.97 -31.56 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 41.5 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 48.9 t60 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.1 110.882 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.4 t -74.09 -43.97 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.1 111.164 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -67.02 -36.11 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.048 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -42.87 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 8.3 m-85 -74.91 -73.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 95.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.48 -176.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.67 -36.03 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.903 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.54 -175.6 47.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.1 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.32 -54.48 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.2 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.15 -31.53 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.3 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.28 -43.84 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.2 111.122 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 19.0 mttm -60.26 -48.29 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.18 -33.02 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.3 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -64.44 -45.1 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 48' ' ' VAL . 30.8 mt -71.9 -34.01 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 70.1 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -60.26 -42.18 94.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.1 110.863 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.6 -36.22 73.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 30.3 111.118 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -75.47 -39.89 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -31.11 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.5 110.914 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -81.78 -31.5 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.3 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.32 -47.74 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.865 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.44 -39.52 88.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 41' ' ' VAL . 14.8 mt -66.93 -31.88 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.881 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.9 -53.84 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.897 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -65.84 -45.54 81.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.943 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -61.27 -40.57 94.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 61.4 111.095 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.25 -42.11 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.888 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -70.76 -41.01 72.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 72.2 110.574 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -59.47 -51.52 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 52.2 110.769 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' HD21 ' A' ' 34' ' ' LEU . 19.4 pttt -62.85 -27.58 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 75.4 111.016 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.63 -54.07 51.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.5 110.968 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.478 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.0 p90 -81.44 -36.73 29.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.311 -0.404 . . . . 74.4 110.466 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 34' ' ' LEU . 17.9 mt -60.02 -33.38 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.489 . . . . 75.4 110.889 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -86.09 -31.58 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.929 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.085 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 74.2 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.35 -40.1 45.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.871 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -79.25 -37.87 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.2 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -64.05 -40.7 96.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.148 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.8 mt -75.93 -34.88 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 51.4 111.145 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.2 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.2 mt -67.61 -37.61 82.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.847 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -33.96 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -79.87 -41.23 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.88 -45.87 66.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 52.4 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.05 -47.95 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 63.1 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.3 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 30.2 111.095 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -79.4 -35.11 41.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.207 -0.452 . . . . 70.3 111.366 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.45 -52.75 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 72.3 110.893 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.13 -47.32 86.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -62.44 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.06 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 73.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.63 -28.26 0.54 Allowed Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.561 -0.828 . . . . 42.1 112.431 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.31 121.91 22.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.339 . . . . 73.4 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.9 m-85 -108.23 -35.44 6.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.202 0.525 . . . . 65.3 111.114 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.97 -57.76 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 70.5 110.496 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.785 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.77 -40.49 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 51.5 111.082 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.546 HD22 HD12 ' A' ' 79' ' ' LEU . 42.6 tp -60.22 -43.7 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.888 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.94 -40.34 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 33' ' ' ALA . 7.1 mt -68.67 -38.22 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 62.1 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 13.3 m-85 -60.02 -46.22 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.3 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -60.21 -40.79 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.924 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 17' ' ' LEU . 24.8 m170 -63.49 -36.5 83.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 71.5 111.102 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.834 HG11 HD13 ' A' ' 69' ' ' LEU . 21.8 t -63.76 -36.05 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.09 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -64.31 -44.94 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 71.4 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.6 m-85 -74.34 -36.7 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 61' ' ' ILE . 11.0 m-85 -65.76 -48.85 70.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.937 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.82 -33.89 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.2 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 41.4 t60 -65.66 -31.69 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 43' ' ' TYR . 26.2 t -79.42 -51.99 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 63.5 111.077 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -64.21 -40.85 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 64.4 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -65.18 -43.36 91.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.924 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -73.16 -69.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.6 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -64.01 -178.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.1 111.088 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.57 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.946 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.587 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -149.68 -157.7 7.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 70.0 112.456 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -73.24 -58.22 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 73.2 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.33 -31.57 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.911 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.74 -45.86 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.76 -42.73 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.99 72.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -46.27 60.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 61.4 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 44' ' ' PHE . 34.3 mt -69.92 -34.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 54.5 111.076 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -59.49 -49.16 78.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 66' ' ' THR . . . -65.86 -32.42 73.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.2 111.114 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 38.3 mtmt -76.8 -41.43 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.939 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -59.81 -30.55 68.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.4 110.939 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -82.67 -31.68 28.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -69.25 -47.81 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.684 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 18.5 m-85 -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 HG11 ' A' ' 41' ' ' VAL . 1.9 tp -60.01 -41.51 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.931 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.91 -46.83 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.821 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.2 mmm-85 -63.88 -32.65 74.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.878 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.28 -40.54 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 35.4 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.98 -36.86 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.945 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -75.44 -39.05 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 71' ' ' ARG . 7.5 mp -62.73 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 70.3 110.886 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 34' ' ' LEU . 3.1 ptpt -64.96 -28.1 69.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.81 -51.22 70.94 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.361 -0.381 . . . . 61.5 110.99 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.461 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 2.8 p90 -84.23 -37.25 22.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.626 -0.261 . . . . 74.4 111.231 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 18.6 mt -60.06 -42.85 95.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.922 -0.581 . . . . 70.4 110.914 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -31.72 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 71.2 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 50.4 110.591 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 74.3 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.32 -44.63 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 65.3 110.926 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -60.28 -31.62 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -74.39 -31.64 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.885 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 43' ' ' TYR . . . -72.48 -36.66 68.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 70.5 111.117 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.61 -36.88 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 72.4 111.091 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.53 -45.41 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.868 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.1 mt -72.01 -37.51 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.58 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.4 111.108 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -46.28 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -67.67 -42.1 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.1 111.015 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.92 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 70.5 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.4 74.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 42.3 111.115 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -78.19 -35.42 48.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 63.1 111.025 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 6.7 mm-40 -60.38 -52.62 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.851 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.8 t0 -61.41 -47.43 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 65.2 110.858 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -61.09 -31.73 71.41 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.003 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.4 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 72.1 111.169 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.36 -28.97 1.5 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.402 -0.904 . . . . 75.4 112.482 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -71.86 117.86 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 65.2 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.06 -42.31 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.902 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.1 111.021 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.28 -42.29 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 51.3 110.917 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -63.06 -36.25 82.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.2 111.078 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 79' ' ' LEU . 58.9 tp -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.858 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.25 -35.17 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 64.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 17' ' ' LEU . 14.4 mt -72.17 -39.14 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 73.1 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.653 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.72 -51.05 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -37.85 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 52.5 110.951 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.739 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.7 m170 -60.59 -45.98 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.92 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -64.55 -45.73 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.57 -38.44 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.1 m-85 -75.29 -31.24 60.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 53.2 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.1 m-85 -77.8 -50.37 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 64.3 110.909 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.31 -31.59 72.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 40.9 t60 -67.55 -48.85 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.5 t -63.32 -48.96 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.072 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 44' ' ' PHE . 27.6 t -63.35 -36.11 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 44.3 111.039 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.58 -39.81 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.927 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.0 m-85 -77.56 -73.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -161.61 94.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.3 110.875 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -66.28 -176.05 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.138 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -82.51 -39.08 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 178.12 43.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 62.4 112.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.19 -55.52 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 41.5 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -32.99 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.881 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.72 93.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 61.1 111.06 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.46 -46.31 90.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.925 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.97 -33.02 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 71.1 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -43.86 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.45 -33.99 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.047 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.903 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -27.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -78.97 -46.37 18.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.065 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -60.27 -33.08 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.949 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -79.3 -31.55 43.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.64 -48.32 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.54 -33.49 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 41' ' ' VAL . 14.4 mt -60.26 -44.62 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.895 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.1 -44.52 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 72.4 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -66.89 -47.5 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.2 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -32.89 73.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 62.2 111.069 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -60.41 -43.52 96.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -74.49 -39.19 62.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.471 . . . . 62.4 111.204 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.5 -51.99 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 60.4 110.847 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB3' HD21 ' A' ' 34' ' ' LEU . 20.9 pttt -67.6 -27.89 67.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.877 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.5 -56.73 15.78 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.248 -0.433 . . . . 74.5 111.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.366 . . . . 73.2 110.637 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -62.07 -40.9 97.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.892 0.377 . . . . 73.5 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.27 -32.04 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.5 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.831 -179.64 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 72.4 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.14 -46.27 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.945 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -60.04 -35.09 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 73.4 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CE ' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -77.76 -31.35 51.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.73 -38.45 86.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 53.4 111.095 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -76.11 -33.6 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 53.5 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.24 -40.6 90.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.876 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.4 mt -74.0 -42.23 60.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.2 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.97 -44.37 94.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 53.3 111.11 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 54.4 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -71.12 -36.7 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.931 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.1 111.089 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.95 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 41.1 111.093 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -76.43 -31.96 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.4 110.793 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.0 -49.01 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.87 0.367 . . . . 71.2 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.53 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.4 110.879 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.51 -33.88 76.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.17 -0.468 . . . . 54.1 111.179 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.92 -47.28 66.15 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.895 -0.593 . . . . 72.1 111.109 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.39 -31.84 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.134 -0.555 . . . . 60.3 112.787 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -74.26 117.16 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 64.3 110.844 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.87 -39.14 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.35 -54.97 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 61.5 111.058 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.2 -36.0 80.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 73.5 110.687 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.55 -38.82 92.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.2 111.123 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 72' ' ' ALA . 45.8 tp -60.24 -48.07 83.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.3 110.919 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -35.44 75.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.5 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 33' ' ' ALA . 6.5 mt -76.91 -38.63 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.683 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.6 m-85 -60.31 -43.62 96.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 74.3 110.929 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.72 -42.15 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.595 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.34 -44.2 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.1 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 34.1 111.116 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.02 -32.15 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.7 -45.28 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 70.5 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.559 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 72.6 m-85 -75.34 -32.55 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.4 110.872 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.728 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.0 m-85 -67.65 -38.84 84.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.7 -30.87 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 56.9 t60 -63.1 -55.64 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 48' ' ' VAL . 11.1 p -59.54 -43.61 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.2 111.131 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.781 HG22 HD12 ' A' ' 61' ' ' ILE . 35.9 t -69.74 -40.76 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.1 111.07 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 4.0 ttpt -69.63 -42.78 73.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -72.67 -71.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.75 92.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.894 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -59.85 -176.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.3 111.142 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.97 -41.48 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.1 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.3 -176.9 39.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.485 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.52 -55.11 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 74.2 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -62.48 -32.91 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.04 -46.47 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 54.4 111.089 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 57.2 mttt -60.31 -42.49 95.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.34 -33.01 71.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 60.3 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -43.39 71.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -69.76 -33.98 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.3 111.097 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -60.68 -46.78 89.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.13 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 65.4 111.114 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 11.9 mtmt -73.28 -43.26 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.567 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.6 m -60.03 -30.79 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.878 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 t -85.32 -31.69 22.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.859 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -69.25 -47.87 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 65.2 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.621 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 17.3 m-85 -71.49 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.1 mt -60.27 -44.78 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.3 110.876 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.64 -39.57 94.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.2 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 75' ' ' LEU . 9.4 tpt180 -72.19 -49.92 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.06 -38.79 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 64.4 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.17 -40.09 88.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.937 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.17 -41.28 70.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 71' ' ' ARG . 6.3 mp -59.14 -52.04 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.834 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.3 ptmt -62.82 -27.87 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.753 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.59 -52.6 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 72.1 111.043 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 3.6 p90 -83.84 -33.41 24.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.844 0.354 . . . . 75.3 110.778 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 78' ' ' TYR . 23.6 mt -65.97 -36.83 84.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.894 0.378 . . . . 74.2 110.752 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -31.31 28.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 70.1 110.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.497 -0.319 . . . . 55.4 110.922 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 74.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.661 HD13 HG11 ' A' ' 47' ' ' VAL . 6.8 tp -71.18 -39.07 72.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.26 -33.88 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.888 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.681 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -78.84 -36.07 43.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.913 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.53 79.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 65.1 111.09 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.37 -38.85 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.29 -45.02 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.1 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -62.52 -42.88 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -46.83 88.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 43.3 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -48.2 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 64.2 110.857 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.4 -42.73 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -60.2 -45.1 94.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.58 70.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.04 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -78.98 -36.57 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 71.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.52 -52.72 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.685 ' OD2' HD21 ' A' ' 75' ' ' LEU . 10.1 t70 -64.89 -44.89 88.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.2 110.881 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -63.5 -31.83 73.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.942 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.17 -43.38 34.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.438 . . . . 75.4 111.447 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.44 -29.85 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.054 -0.593 . . . . 71.4 112.812 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -74.33 112.73 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 73.2 110.801 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -98.86 -36.69 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.868 0.366 . . . . 75.1 111.081 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.69 -53.31 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -36.65 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 60.2 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.18 -38.47 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 60.4 111.067 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.634 HD12 ' HB1' ' A' ' 72' ' ' ALA . 46.6 tp -60.27 -49.23 78.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.909 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.3 110.881 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 mt -74.65 -40.23 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.924 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.52 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 17.3 m-85 -60.39 -49.81 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 65.4 110.893 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -60.6 -38.89 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 54.1 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.413 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.9 m170 -60.29 -44.64 95.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.85 -46.89 87.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.079 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -61.17 -35.08 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.36 -49.75 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.883 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 47' ' ' VAL . 66.6 m-85 -72.56 -36.45 68.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 73.2 110.887 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CE2' ' HB1' ' A' ' 40' ' ' ALA . 5.6 m-85 -61.19 -56.29 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.883 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.71 -31.58 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 45.5 t60 -60.28 -37.79 81.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.898 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.661 HG11 HD13 ' A' ' 11' ' ' LEU . 21.4 t -74.36 -34.1 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 60.4 111.152 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.6 t -77.15 -36.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 54.2 111.09 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -31.66 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.4 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -87.56 -72.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.932 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -162.47 97.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 70.1 110.895 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -72.23 -169.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 71.1 111.11 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -89.44 -36.25 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 54.1 110.884 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.76 -173.97 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.5 112.53 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.36 -55.98 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 62.3 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -59.97 -30.96 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.11 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.5 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 31.1 mttt -60.08 -52.57 64.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -33.05 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.904 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -63.47 -44.64 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 53.4 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.05 -33.99 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.3 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.57 93.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.924 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.47 -33.52 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -76.27 -42.08 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.94 -31.0 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.1 t -81.87 -31.48 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 52.3 110.89 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.33 -47.63 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.41 -36.42 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.94 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.26 -37.28 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.45 -43.07 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 75' ' ' LEU . 24.5 ttt180 -67.45 -51.78 47.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.2 110.939 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.93 -41.82 92.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.1 111.109 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -34.42 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -72.38 -42.36 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.928 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.685 HD21 ' OD2' ' A' ' 25' ' ' ASP . 8.9 mp -59.25 -52.02 67.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.1 110.916 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HB3' HD21 ' A' ' 34' ' ' LEU . 15.1 pttt -63.15 -27.89 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.1 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.65 -56.92 15.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.4 p90 -76.37 -37.8 56.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.197 0.523 . . . . 65.2 110.875 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 27.1 mt -58.8 -31.12 68.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.016 -0.538 . . . . 73.3 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -79.86 -42.91 23.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.341 . . . . 73.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 120.936 0.398 . . . . 72.4 110.885 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 70.1 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 ' HB2' HG21 ' A' ' 47' ' ' VAL . 11.0 tp -69.49 -35.92 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.54 -49.32 78.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.75 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.861 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.43 -44.24 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 24.4 111.088 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.89 -33.5 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 55.4 111.06 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.92 -49.57 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.3 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.75 HD11 ' HD3' ' A' ' 13' ' ' LYS . 14.7 mt -61.23 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 70.3 111.093 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m -61.64 -44.0 97.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.896 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -70.62 -39.16 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 64.2 110.956 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.14 -47.49 85.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.1 111.101 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.85 89.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 63.4 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -74.36 -31.49 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.106 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.66 -38.7 77.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.4 110.889 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.04 -51.04 27.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.2 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.3 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.3 72.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 71.5 111.234 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.38 -28.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.973 -0.632 . . . . 51.2 112.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.26 115.5 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 62.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.64 -36.04 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.3 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -64.51 -55.49 20.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.224 -0.443 . . . . 62.2 111.096 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -41.91 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 75.1 110.955 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -62.35 -36.24 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 44.1 111.082 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 76' ' ' LYS . 55.0 tp -60.29 -50.2 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.939 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -62.57 -31.59 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 74.4 110.863 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 33' ' ' ALA . 16.0 mt -76.08 -37.2 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.663 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.2 m-85 -60.64 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.38 -40.64 85.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 44.3 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.7 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 m170 -60.55 -44.91 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.91 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.63 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.4 111.073 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -66.26 -35.95 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.3 111.067 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.42 -47.86 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.3 m-85 -72.6 -38.24 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.91 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.21 -55.04 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.941 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.65 -31.18 70.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 46.3 t60 -60.54 -38.47 84.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.7 t -77.03 -34.17 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.3 111.136 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -77.42 -36.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.1 111.172 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -45.85 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.485 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.1 m-85 -71.37 -73.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -168.09 96.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -60.07 -171.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 64.1 111.109 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -93.96 -31.32 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.38 170.93 40.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 53.2 112.512 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.01 -52.18 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 64.1 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -61.22 -31.61 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 54.2 110.925 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.73 -40.67 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.3 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.548 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 62.8 mttt -60.41 -49.57 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -60.33 -33.01 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -65.77 -42.6 90.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 64.1 110.895 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 48' ' ' VAL . 25.5 mt -72.31 -34.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.3 111.037 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -59.68 -49.11 79.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.867 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.03 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.064 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -76.12 -43.22 44.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.912 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.28 -30.92 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 65.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -82.66 -31.57 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.842 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.33 -48.35 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.4 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.43 -37.67 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.27 -44.44 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.1 110.948 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.95 -37.07 85.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 65.1 110.921 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -68.02 -43.75 78.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -76.1 -31.18 58.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.92 -47.21 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.1 110.901 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -73.81 -37.14 65.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.35 -51.99 67.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.922 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 ptmt -67.85 -27.67 66.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.619 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.45 -57.2 12.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.1 111.142 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 6.2 p90 -67.28 -36.24 81.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.165 -0.471 . . . . 70.2 110.728 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.6 mt -62.75 -40.92 98.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.254 -0.43 . . . . 61.4 110.945 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -75.96 -32.22 59.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.919 -0.582 . . . . 73.5 110.976 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.239 0.501 0 CA-C-N 115.851 -0.613 . . . . 74.3 110.679 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 61.2 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.95 -43.67 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -59.46 -38.99 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 63.1 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.8 tttp -73.93 -31.64 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.889 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -64.46 -37.41 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 42.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.6 -32.36 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.1 111.111 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.57 -44.75 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.643 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -63.34 -45.7 90.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.74 91.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 54.3 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 m -60.3 -43.43 96.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 62.3 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -73.67 -31.61 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -70.01 -47.44 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.2 111.148 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.88 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.3 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.06 -32.01 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 51.3 110.673 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.24 -52.46 33.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.421 -0.354 . . . . 75.2 110.91 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.71 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.27 -32.08 70.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.163 0.506 . . . . 73.5 111.005 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.77 43.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 72.3 111.004 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.16 -28.71 0.58 Allowed Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.738 -0.744 . . . . 43.2 112.573 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -73.81 112.16 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 73.1 110.927 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.95 -41.62 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.939 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -56.84 16.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.764 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.87 -34.6 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.23 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 76' ' ' LYS . 36.7 tp -60.35 -52.31 65.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.915 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.78 -33.8 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 64.3 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 27.1 mt -72.29 -39.83 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 54.3 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.9 m-85 -60.31 -46.92 88.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.897 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -61.24 -39.33 89.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.424 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.89 -46.76 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.845 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.91 -42.52 94.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 61.2 111.115 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -64.15 -32.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 62.5 111.082 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -67.84 -48.56 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 47' ' ' VAL . 69.7 m-85 -73.3 -37.03 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.915 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m-85 -60.38 -46.89 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.914 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.72 -31.65 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.496 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 70.3 t60 -60.49 -36.46 78.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 61.3 110.871 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -74.98 -44.8 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -65.53 -36.17 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 64.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -74.72 -37.62 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.5 110.904 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.9 m-85 -80.91 -67.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.2 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -171.96 99.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.922 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -74.77 -176.28 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.106 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.596 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -170.81 -161.64 21.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 74.3 112.504 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.43 -56.93 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 62.5 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -60.36 -31.6 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -64.48 -45.67 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.091 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -60.24 -43.37 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.864 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.58 -32.99 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.1 110.932 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -40.09 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.4 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 48' ' ' VAL . 38.4 mt -73.91 -33.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 73.2 111.128 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -60.26 -45.73 92.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.889 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.14 -35.11 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.059 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -73.96 -43.38 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.914 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 -31.36 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.9 t -84.58 -31.6 24.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.04 -48.13 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.0 -42.98 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.894 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 41' ' ' VAL . 16.5 mt -60.32 -31.92 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 70.5 110.92 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.49 -50.13 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -64.73 -50.77 65.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -60.0 -38.2 81.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 62.4 111.097 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.58 -48.57 81.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.949 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -35.03 68.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.189 -0.459 . . . . 65.3 111.125 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.33 -52.06 67.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 54.4 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.513 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.3 ptmm? -67.73 -27.73 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.693 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -57.09 12.79 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.859 0.362 . . . . 61.2 111.103 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.2 p90 -67.22 -36.07 80.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 71.2 111.024 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 70.4 mt -62.89 -32.68 73.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.308 -0.406 . . . . 73.3 110.919 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -86.22 -31.44 21.71 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 115.806 -0.634 . . . . 75.4 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.9 -0.591 . . . . 74.5 110.67 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 74.3 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -72.95 -37.89 66.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -74.8 -39.76 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.1 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.4 -39.19 86.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.12 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.52 -36.33 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 71.2 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.6 mt -73.98 -38.5 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.1 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.504 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.28 -38.35 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.1 111.139 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -74.19 -48.14 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.1 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -65.24 -45.32 85.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.063 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -59.94 -47.25 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 72.3 111.102 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.07 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.074 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -79.11 -32.39 44.56 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.168 -0.469 . . . . 62.4 111.068 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.17 -52.64 46.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 65.4 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.94 -45.08 96.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -65.48 -31.97 73.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.787 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.85 46.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.159 0.504 . . . . 61.2 111.292 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.79 -30.63 0.4 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.387 -0.911 . . . . 52.3 112.283 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -73.99 113.81 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.673 -0.31 . . . . 74.3 111.22 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -101.42 -41.37 6.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.819 0.342 . . . . 74.5 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -61.68 -52.91 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.235 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -40.54 95.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.404 -0.362 . . . . 53.5 110.92 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -64.15 -36.18 83.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.105 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 76' ' ' LYS . 62.8 tp -60.34 -48.74 80.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 62.5 110.865 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.07 -33.02 73.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 52.3 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 33' ' ' ALA . 9.9 mt -74.88 -39.35 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.901 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -60.37 -35.57 76.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -71.05 -44.86 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.675 ' HB3' HD13 ' A' ' 17' ' ' LEU . 13.7 m170 -60.32 -41.8 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.3 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -44.12 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 55.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.3 t -68.3 -33.67 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.076 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.74 -47.21 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.3 110.887 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.4 m-85 -70.43 -37.56 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.2 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 5.2 m-85 -63.39 -55.06 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.29 -31.94 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.931 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.7 t60 -62.63 -35.4 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.5 110.934 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.7 t -75.36 -46.3 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.026 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.53 -36.18 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 52.4 111.087 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -72.08 -44.87 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -73.41 -69.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -169.22 94.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 62.4 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -70.19 178.46 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.131 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.76 -67.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.926 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -142.7 -176.61 16.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 72.2 112.466 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.9 -51.3 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 75.1 110.877 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.61 -31.57 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.3 110.885 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -66.07 -42.66 89.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.098 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -60.47 -47.94 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.94 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -36.86 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.864 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -65.07 -45.59 84.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.932 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -69.22 -33.97 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 75.2 111.057 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -58.82 -40.22 83.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.32 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.1 111.043 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -75.16 -42.73 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.4 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -81.77 -31.5 31.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 55.3 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -71.43 -48.03 52.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 64.2 110.897 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 28.4 m-85 -68.09 -37.61 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.29 -41.73 93.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.06 -41.07 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.931 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -68.0 -39.15 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 65.4 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -76.85 -34.13 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.103 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.29 -45.62 92.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -71.29 -38.32 71.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 72.2 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.8 -51.87 68.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 71.4 110.824 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.58 -28.2 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.4 110.901 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -53.85 -57.15 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.031 -0.532 . . . . 74.5 111.329 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.8 p90 -67.94 -34.56 76.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.0 0.428 . . . . 64.1 110.681 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 68.2 mt -65.7 -34.96 79.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 73.5 110.929 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -78.63 -33.62 47.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.871 -0.604 . . . . 71.3 111.175 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.966 -0.561 . . . . 64.3 111.048 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.845 0.355 . . . . 74.3 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.5 -47.49 72.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 65.2 110.95 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.29 -33.49 72.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.936 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.567 ' HG3' HD12 ' A' ' 17' ' ' LEU . 28.9 tptt -69.83 -31.66 69.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.873 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.523 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.9 -40.16 69.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 74.4 111.09 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.7 mt -74.19 -41.8 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 71.2 111.081 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.48 -46.68 89.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 73.2 110.918 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.1 mt -71.14 -33.48 70.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.1 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.47 -39.65 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 74.1 111.107 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -66.01 -45.82 80.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.1 110.937 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -65.82 -37.99 87.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -64.29 -46.13 84.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 72.3 111.12 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.32 -31.22 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.4 111.107 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -80.32 -34.65 36.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 62.4 110.776 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.559 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 13.5 mm-40 -64.86 -47.74 76.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.29 -0.414 . . . . 65.4 110.907 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.51 -43.69 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.5 110.95 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -68.48 -32.07 71.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.709 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.19 -44.67 45.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.613 -0.267 . . . . 61.2 110.991 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.3 -33.21 0.5 Allowed Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.365 -0.921 . . . . 52.3 112.047 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -74.06 118.67 17.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.73 0.3 . . . . 74.3 110.839 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -105.66 -36.51 7.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.807 0.337 . . . . 74.5 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -60.24 -53.73 54.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.806 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -67.29 -33.72 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 53.5 110.737 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . . . -70.03 -37.07 75.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.5 111.108 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.3 tp -60.44 -52.38 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.5 110.903 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.6 -31.7 71.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 52.3 110.89 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.551 ' CD2' HD23 ' A' ' 17' ' ' LEU . 21.8 mt -73.99 -37.71 64.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 63.3 110.915 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.7 m-85 -60.4 -43.53 96.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 70.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -66.81 -38.5 86.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.876 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -61.18 -45.11 95.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 61.3 110.892 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.44 -40.16 85.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 55.0 111.085 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.1 t -71.94 -32.07 42.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.2 111.069 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -66.14 -43.35 87.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 61.3 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.3 m-85 -75.32 -38.57 60.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.1 m-85 -60.25 -51.29 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 73.3 110.857 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.35 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.874 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.1 t60 -60.78 -37.29 81.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 75.5 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -74.54 -48.85 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.693 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -59.96 -37.28 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 52.4 111.11 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -73.93 -46.58 43.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 73.5 110.877 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.9 m-85 -71.74 -73.52 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 63.0 110.914 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -159.22 96.69 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 62.4 110.93 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -69.79 -177.1 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 44.5 111.131 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -81.8 -44.3 17.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 75.1 110.89 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.504 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.98 -176.46 39.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.689 -0.767 . . . . 72.2 112.471 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.4 -60.16 4.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 75.1 110.882 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tmmm? -60.25 -31.63 70.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.905 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -63.37 -44.58 94.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.09 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 23.4 mttt -60.18 -43.01 96.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.939 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.905 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.43 -39.72 81.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.2 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.693 HD12 HG22 ' A' ' 48' ' ' VAL . 30.4 mt -72.54 -34.03 46.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 75.2 111.119 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -60.32 -44.29 95.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 74.2 110.857 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.38 -35.46 75.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.1 111.072 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -74.57 -42.76 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 75.4 110.85 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.17 -31.51 70.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 50.4 110.963 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.83 -31.59 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 55.3 110.941 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -50.72 65.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 64.2 110.884 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -69.61 -38.93 77.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 73.3 110.895 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.36 -39.97 89.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.878 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.73 -40.86 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.909 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -69.51 -51.15 38.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 65.4 110.951 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -64.63 -34.15 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 73.4 111.096 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.43 -46.46 89.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -72.16 -37.66 69.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.993 -0.548 . . . . 72.2 110.97 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -52.04 67.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 71.4 110.956 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HB3' HD21 ' A' ' 34' ' ' LEU . 28.7 pttt -65.66 -27.94 68.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 73.4 110.916 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -55.99 -55.56 31.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.5 111.049 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.2 p90 -74.83 -36.87 62.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 64.1 110.771 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.439 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 21.3 mt -60.15 -36.63 77.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 73.5 111.066 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -32.66 38.93 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.81 -0.632 . . . . 71.3 111.086 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.501 -0.318 . . . . 64.3 110.797 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 47' ' ' VAL . 17.8 p30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.801 0.334 . . . . 75.4 110.844 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.25 -44.16 69.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.1 110.873 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -60.41 -31.61 70.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.5 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.649 ' HG3' HD12 ' A' ' 17' ' ' LEU . 14.2 tptt -73.62 -35.02 65.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.929 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.557 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -68.35 -36.5 79.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.2 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.8 -42.19 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.4 111.159 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.42 -45.18 94.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 62.1 110.842 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 13' ' ' LYS . 7.3 mt -73.17 -33.52 65.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 71.2 110.941 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.28 -47.1 74.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 71.3 111.095 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.5 m -60.41 -48.11 83.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 74.3 110.904 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -60.45 -40.91 92.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.904 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.582 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.96 -48.24 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 52.5 111.123 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.89 78.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 54.2 111.115 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -34.26 47.07 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.143 -0.48 . . . . 55.3 111.157 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 20.9 mm-40 -64.25 -51.27 64.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.493 . . . . 54.3 110.905 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -60.36 -50.98 71.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 63.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -61.58 -32.18 72.27 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 116.151 -0.477 . . . . 65.4 110.888 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.0 -30.82 62.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.584 . . . . 72.5 111.049 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.73 -28.43 2.53 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 120.706 -0.759 . . . . 50.1 112.484 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.02 107.82 7.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 61.2 110.902 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -95.2 -40.76 9.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 62.4 110.904 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.87 -54.53 45.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 72.3 111.053 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -39.98 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.3 110.7 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.556 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.48 -36.22 82.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 63.2 111.092 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.642 HD21 ' HB3' ' A' ' 76' ' ' LYS . 34.8 tp -60.29 -50.49 73.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.857 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.97 -31.65 72.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 72.1 110.938 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.603 ' CD2' HD23 ' A' ' 17' ' ' LEU . 17.9 mt -73.23 -39.57 65.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 72.4 110.893 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.686 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.8 m-85 -60.31 -42.67 96.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -68.41 -40.87 81.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 55.4 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.553 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.69 -44.36 96.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 62.4 110.9 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.402 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.83 -41.85 92.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 65.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.8 -34.84 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 52.1 111.076 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.26 -49.04 71.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 74.2 110.904 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.2 m-85 -70.42 -38.55 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.4 110.951 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' CD1' HG23 ' A' ' 61' ' ' ILE . 5.1 m-85 -60.33 -56.96 15.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.919 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.33 -31.58 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 75.2 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.437 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 51.5 t60 -60.36 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 73.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.74 -42.12 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 72.1 111.169 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.44 -42.57 90.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.1 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.54 -38.35 77.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.914 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.9 m-85 -81.14 -68.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.946 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -168.16 101.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.92 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.56 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -76.77 -176.16 3.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 43.5 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -78.03 -53.71 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 54.2 110.914 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.578 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.57 -173.86 34.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 50.3 112.499 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -54.91 39.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 75.2 110.867 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -60.37 -34.07 73.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.5 110.859 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.578 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -67.18 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 62.3 111.083 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 40.9 mttt -60.3 -44.87 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 50.3 110.93 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -60.38 -32.94 71.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.3 110.911 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.2 t -67.97 -44.2 77.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.939 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 44' ' ' PHE . 29.8 mt -72.57 -33.97 46.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.09 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.1 mtm180 -60.41 -43.76 96.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.31 -36.28 76.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 63.3 111.138 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -74.4 -42.74 58.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 73.3 110.891 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.14 -31.15 69.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 74.2 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -83.43 -31.61 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 65.1 110.904 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -72.94 -47.72 43.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 71.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.05 -41.33 86.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.42 . . . . 74.4 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.32 -36.25 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 75.1 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -73.73 -37.83 64.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 73.1 110.867 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -72.28 -34.29 68.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -80.65 -34.01 35.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.115 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -61.1 -44.96 96.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 73.1 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -37.14 64.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 73.1 110.722 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -58.16 -52.3 66.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 61.3 110.859 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.642 ' HB3' HD21 ' A' ' 34' ' ' LEU . 8.2 pttp -67.69 -27.97 67.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.035 -0.529 . . . . 74.3 110.925 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -54.01 -57.15 12.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 75.4 111.241 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.448 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 5.6 p90 -67.51 -36.15 80.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.344 -0.389 . . . . 71.5 110.836 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.449 HD12 HD22 ' A' ' 34' ' ' LEU . 66.0 mt -63.2 -35.34 79.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.083 -0.508 . . . . 71.3 111.031 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -80.02 -31.19 39.64 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.0 -0.545 . . . . 71.3 110.955 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.771 0.32 . . . . 52.1 110.668 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.774 0.321 . . . . 72.1 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.3 -49.42 56.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 72.3 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -60.31 -31.56 70.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.2 110.933 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.536 ' HG3' HD12 ' A' ' 17' ' ' LEU . 13.2 tptm -73.46 -31.59 63.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.4 110.923 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.607 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -73.33 -36.54 66.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.8 mt -77.73 -41.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -61.24 -46.2 91.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.941 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.57 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.7 mt -71.25 -34.39 70.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.905 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.63 -47.49 75.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 63.5 111.119 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -63.53 -41.4 98.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 71.4 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -32.39 72.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 62.3 110.908 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -68.7 -47.53 66.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.086 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -33.92 72.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.3 111.128 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -76.11 -31.7 58.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.4 111.035 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.63 -50.03 54.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 61.2 110.876 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -66.61 -38.07 86.21 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.193 -0.458 . . . . 72.1 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.722 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.71 -43.43 59.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.271 -0.422 . . . . 75.2 111.02 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.69 -31.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.762 -0.732 . . . . 52.3 112.446 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -69.62 115.62 9.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 63.3 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.476 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.05 -39.48 6.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 61.2 110.934 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.23 -47.32 86.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.182 -0.463 . . . . 60.1 110.85 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' HD12 ' A' ' 36' ' ' LEU . 2.2 tp10 -71.35 -34.85 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 70.3 110.605 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.68 -36.77 70.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 54.1 111.097 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.673 HD21 ' HB3' ' A' ' 76' ' ' LYS . 60.3 tp -60.3 -55.22 36.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 53.3 110.926 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.29 -31.62 70.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 75.4 110.936 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 22.5 mt -73.12 -38.86 66.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.4 110.922 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' O ' HG23 ' A' ' 41' ' ' VAL . 17.5 m-85 -60.32 -37.76 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.887 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.77 -39.85 72.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 73.1 110.901 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.57 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.96 -43.94 98.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -45.54 92.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 63.3 111.096 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -64.51 -35.73 75.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 53.4 111.102 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.864 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.607 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 61.9 m-85 -71.94 -37.19 70.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.5 110.861 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.47 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 4.2 m-85 -60.35 -55.88 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 60.1 110.854 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.1 mt -60.47 -31.56 70.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 53.2 110.9 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 35.2 t60 -61.29 -35.8 78.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.928 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -75.63 -52.42 18.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 54.5 111.103 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.587 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -59.94 -36.13 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 70.1 111.101 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 5.5 ttpt -74.25 -39.47 63.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 4.7 m-85 -80.93 -73.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.2 110.913 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -160.2 97.52 1.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 73.3 110.904 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.587 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.45 -176.12 2.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 65.3 111.095 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.29 -49.57 10.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.565 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.5 -171.22 36.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.697 -0.763 . . . . 64.3 112.505 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -60.37 -53.23 60.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 73.1 110.927 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -60.36 -31.54 70.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 73.4 110.906 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -74.22 -45.43 48.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 63.5 111.054 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 37.5 mttm -60.31 -51.34 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 71.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -60.35 -32.96 71.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 64.5 110.895 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -65.87 -45.45 82.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 71.4 110.903 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.7 mt -72.33 -34.03 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.043 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -59.52 -49.54 77.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 75.5 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.52 -31.18 71.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 53.0 111.068 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 mtpt -75.8 -43.22 47.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 75.5 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.419 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -60.16 -31.0 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.3 110.927 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -82.94 -31.57 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.917 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.0 tt0 -71.15 -48.16 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 72.3 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -66.65 -42.89 85.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.4 110.91 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' A' ' 41' ' ' VAL . 14.2 mt -60.44 -34.51 74.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.894 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.09 -42.55 89.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.886 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -74.46 -35.56 63.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 72.1 110.934 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.503 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -77.67 -37.33 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 60.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.3 -47.09 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.898 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -71.37 -34.65 70.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 54.3 110.748 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.598 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -61.42 -52.1 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.4 -0.364 . . . . 74.3 110.823 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.673 ' HB3' HD21 ' A' ' 34' ' ' LEU . 11.2 pttt -67.58 -27.96 67.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 71.4 110.922 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -56.1 -53.52 56.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.262 -0.427 . . . . 74.4 110.97 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.476 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.2 p90 -76.16 -36.98 58.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.391 -0.368 . . . . 75.3 110.752 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.453 HD12 HD22 ' A' ' 34' ' ' LEU . 18.0 mt -59.67 -43.47 93.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 73.4 111.031 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.82 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 71.4 110.867 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 115.905 -0.588 . . . . 73.1 111.147 179.9 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.9 m120 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.849 0.357 . . . . 73.3 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -73.89 -36.68 64.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.879 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.37 -45.18 94.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.859 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -68.27 -33.91 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.957 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.37 -39.33 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 75.4 111.089 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.77 -31.23 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 55.1 111.112 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -70.26 -44.84 67.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.898 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 11.5 mt -68.4 -41.06 81.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.885 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.5 85.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 70.1 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 t -63.32 -39.2 93.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 44.3 110.912 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -73.27 -33.78 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 70.3 110.871 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.595 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.77 -49.75 60.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.14 76.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 70.1 111.109 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -75.85 -31.44 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 75.5 111.156 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.49 -52.71 29.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.064 -0.516 . . . . 74.4 110.889 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD1' HD21 ' A' ' 75' ' ' LEU . 11.8 t70 -63.38 -40.57 97.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 63.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.68 -32.27 73.47 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.1 111.032 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.61 -30.86 52.54 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.945 -0.57 . . . . 63.5 111.116 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 144.25 -28.56 1.95 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 54.5 112.745 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -72.78 105.09 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 72.4 110.907 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.523 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -95.31 -41.14 9.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 64.2 110.883 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -60.41 -58.14 9.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 70.5 110.819 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -60.6 -33.86 73.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 75.4 110.788 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.8 -36.14 72.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 54.4 111.158 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 76' ' ' LYS . 39.2 tp -60.4 -49.79 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 63.5 110.914 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.29 -33.08 75.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.5 mt -72.84 -38.16 67.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.2 110.901 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.677 ' O ' HG23 ' A' ' 41' ' ' VAL . 16.2 m-85 -60.37 -38.19 83.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.3 110.881 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -70.13 -39.71 75.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.907 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.757 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.8 m170 -60.35 -45.42 93.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.1 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.5 94.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 64.4 111.064 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.1 t -66.0 -33.4 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.095 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -64.35 -49.87 69.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.913 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.693 ' O ' HG23 ' A' ' 47' ' ' VAL . 63.1 m-85 -72.29 -37.67 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 71.3 110.886 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.28 -57.94 10.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 73.1 110.912 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.38 -31.81 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.458 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 31.8 t60 -62.91 -39.15 93.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 65.5 110.899 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -73.39 -43.39 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.1 111.043 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.668 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -68.33 -36.99 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 51.4 111.119 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -31.73 62.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.884 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 3.8 m-85 -87.11 -71.34 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.4 110.883 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -163.86 95.31 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.934 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -74.9 -176.21 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 65.1 111.129 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -74.34 -49.45 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 70.5 110.864 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.6 -172.26 36.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.763 -0.732 . . . . 65.1 112.572 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -60.53 -54.05 50.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 75.4 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.3 -35.19 75.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 52.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.52 -45.53 83.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.3 111.086 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -60.14 -43.6 95.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 65.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -60.32 -32.99 71.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 54.3 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -39.93 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 60.2 110.891 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 48' ' ' VAL . 39.2 mt -74.0 -34.04 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 75.3 111.075 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.1 mtt180 -60.29 -46.94 88.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 75.5 110.91 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.436 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.39 -34.53 76.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 73.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -74.23 -43.14 58.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 74.1 110.969 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.401 ' O ' HD12 ' A' ' 69' ' ' LEU . 16.9 m -60.07 -31.12 69.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 72.4 110.934 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.436 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.0 t -83.96 -31.53 25.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 62.1 110.909 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.41 -47.97 65.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 61.4 110.928 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.57 -41.51 75.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 75.3 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 65' ' ' CYS . 14.6 mt -60.35 -38.77 84.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 64.2 110.902 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -69.68 -41.06 75.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.923 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -70.49 -48.16 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.908 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -63.67 -35.68 81.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.094 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -63.97 -38.33 90.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 72.4 110.923 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -68.62 -36.5 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 71.5 110.918 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 30' ' ' TYR . 3.6 mp -62.91 -52.07 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 62.4 110.806 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.65 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 pttp -64.66 -27.73 69.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.744 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -58.96 -52.33 66.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.729 0.299 . . . . 72.4 110.85 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.511 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.0 p90 -83.11 -37.19 24.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.261 0.553 . . . . 74.3 111.19 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 18.6 mt -59.85 -32.67 70.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.805 -0.634 . . . . 53.2 110.964 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -84.53 -37.54 21.13 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.857 0.36 . . . . 72.1 110.778 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.325 -0.47 0 CA-C-O 120.732 0.301 . . . . 75.2 110.668 -179.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.761 0.315 . . . . 73.5 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD13 ' OE1' ' A' ' 53' ' ' GLN . 6.9 tp -68.68 -45.61 71.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 63.0 110.847 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -60.38 -31.61 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.4 110.886 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -74.37 -31.66 62.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.2 110.902 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.536 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -71.22 -35.07 71.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 70.3 111.1 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.75 -37.6 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 55.3 111.148 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -60.57 -45.18 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 73.3 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.737 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.8 mt -73.99 -36.9 64.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 64.0 110.869 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.4 86.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 51.4 111.101 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 m -66.55 -42.59 86.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 72.3 110.907 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -68.64 -35.61 77.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.3 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -67.19 -47.93 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 75.1 111.096 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -31.62 70.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.5 111.091 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -76.23 -31.62 58.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 75.2 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -66.46 -52.68 43.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.896 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.708 ' OD2' HD21 ' A' ' 75' ' ' LEU . 6.6 t0 -61.8 -44.95 95.85 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 116.18 -0.464 . . . . 72.3 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -68.34 -31.53 70.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 74.0 110.637 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.71 -42.07 59.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.488 -0.323 . . . . 74.1 110.856 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 153.97 -30.43 0.73 Allowed Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.594 -0.812 . . . . 63.5 112.761 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -73.52 120.86 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 64.5 110.975 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.467 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -105.6 -40.93 5.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 74.1 110.974 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -53.48 57.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.231 -0.441 . . . . 71.1 111.013 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.17 -39.99 94.52 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.337 -0.392 . . . . 74.0 110.901 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -62.57 -37.08 84.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 32.3 111.094 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD11 ' HB3' ' A' ' 76' ' ' LYS . 62.0 tp -60.3 -49.38 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 71.4 110.872 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -66.57 -31.91 72.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 54.1 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 33.6 mt -74.49 -40.77 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 71.3 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.731 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.7 m-85 -60.5 -39.29 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 74.4 110.914 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -67.32 -42.41 83.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 62.3 110.914 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.737 ' HB3' HD13 ' A' ' 17' ' ' LEU . 10.3 m170 -61.12 -43.92 98.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 64.4 110.923 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.28 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 62.1 111.125 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.9 t -66.44 -33.65 64.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.2 111.079 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -65.58 -49.55 68.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 65.4 110.948 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.596 ' O ' HG23 ' A' ' 47' ' ' VAL . 67.8 m-85 -69.03 -37.93 78.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 73.3 110.909 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.0 m-85 -62.25 -56.75 15.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.0 mt -60.54 -31.85 70.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 61.3 110.883 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.7 t60 -61.71 -35.38 77.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.933 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -78.83 -42.83 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 60.2 111.093 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -67.1 -39.43 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.073 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -32.56 66.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.89 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -86.56 -68.5 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.916 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -167.28 96.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 70.2 110.923 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -65.53 -169.85 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 71.3 111.063 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -88.11 -40.13 14.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 63.4 110.905 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -171.79 -178.03 41.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 60.2 112.473 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -60.63 -49.87 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.792 0.33 . . . . 65.3 110.92 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -69.04 -32.32 71.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 72.4 110.915 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.91 -44.18 86.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.4 111.106 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -60.48 -45.29 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -32.98 71.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.2 110.907 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.7 t -67.18 -42.01 84.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 65.3 110.903 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -72.82 -34.05 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 74.5 111.091 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -60.21 -44.85 94.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 73.4 110.896 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.463 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.1 -35.4 76.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 55.1 111.134 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -74.25 -42.61 59.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.3 110.902 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.7 m -60.27 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 51.4 110.875 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -83.38 -31.69 26.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.4 110.881 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -71.56 -48.31 49.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.938 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -67.45 -41.01 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 75.4 110.906 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.39 -36.29 77.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 73.4 110.897 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.52 -43.43 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 72.3 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 75' ' ' LEU . 5.7 tpt180 -67.07 -51.16 57.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 74.1 110.902 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -59.79 -38.89 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 62.2 111.077 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.6 -36.62 79.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.891 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -72.73 -44.38 61.77 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.92 -0.582 . . . . 64.2 110.479 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.708 HD21 ' OD2' ' A' ' 25' ' ' ASP . 9.1 mp -58.64 -51.71 68.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.43 -0.35 . . . . 64.3 110.829 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' HB3' HD11 ' A' ' 34' ' ' LEU . 23.1 pttt -62.87 -27.94 69.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 62.5 110.758 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -57.63 -55.23 37.55 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.208 -0.451 . . . . 61.2 111.05 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.467 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.7 p90 -78.23 -33.22 49.93 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.367 -0.379 . . . . 70.3 111.155 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 51.3 mt -68.44 -34.85 76.7 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.819 -0.628 . . . . 73.4 110.88 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -83.54 -33.24 25.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 73.1 110.878 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.851 -0.613 . . . . 74.2 111.092 -179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.6 m-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 74.5 110.933 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.564 ' HB2' HG21 ' A' ' 47' ' ' VAL . 8.7 tp -73.67 -36.24 65.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.913 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.37 -39.92 88.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 61.5 110.867 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.741 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttt -72.7 -34.9 67.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 55.3 110.862 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.68 80.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 64.4 111.136 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.76 -31.24 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.4 111.157 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.15 -44.58 65.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 72.5 110.924 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.741 HD11 ' HD3' ' A' ' 13' ' ' LYS . 7.2 mt -67.23 -41.51 85.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.898 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -63.12 -47.51 82.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 62.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -42.53 96.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -71.44 -37.79 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 75.3 110.854 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -63.44 -47.05 83.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 75.3 111.074 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.123 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.76 -31.93 65.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.2 110.787 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -69.34 -52.71 24.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.35 -0.386 . . . . 74.5 110.95 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.35 -49.7 76.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 75.3 110.858 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -60.0 -31.97 70.42 Favored 'General case' 0 C--O 1.241 0.609 0 CA-C-N 116.222 -0.445 . . . . 51.4 110.79 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.72 -39.5 57.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.499 -0.319 . . . . 75.0 110.8 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.55 -29.23 0.85 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.55 -0.834 . . . . 75.4 112.344 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -72.3 106.7 4.56 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.625 0.25 . . . . 71.1 111.281 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -96.13 -40.85 9.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.379 0.609 . . . . 72.0 111.272 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.53 -54.14 49.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.858 -0.61 . . . . 73.5 110.666 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.25 -43.28 98.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 73.4 111.03 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -36.28 81.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.06 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.652 HD21 ' HB3' ' A' ' 76' ' ' LYS . 54.1 tp -60.3 -52.9 63.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 63.2 110.892 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.96 -32.13 71.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 72.3 110.908 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.501 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 40.5 mt -73.3 -39.32 65.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.879 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 m-85 -60.51 -40.75 92.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 73.3 110.905 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -65.74 -43.69 88.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 74.1 110.89 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.735 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.55 -43.32 97.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.941 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.79 -46.76 88.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.3 111.095 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.57 -37.03 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 74.3 111.082 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.57 -47.63 80.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 54.1 110.922 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.496 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 55.6 m-85 -73.38 -38.17 65.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.4 110.891 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.429 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.7 m-85 -60.28 -53.5 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.888 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -62.17 -31.39 71.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.92 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.456 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 54.7 t60 -60.16 -38.33 82.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LEU . 21.6 t -77.25 -50.15 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.1 111.13 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -60.27 -36.15 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 63.1 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -40.03 56.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 70.1 110.885 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.456 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.0 m-85 -78.11 -73.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.898 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -161.85 98.35 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 65.5 110.862 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.23 -169.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 75.3 111.12 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' OE1' ' HB1' ' A' ' 57' ' ' ALA . 4.1 mp0 -91.46 -41.87 10.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 72.4 110.94 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.05 -179.88 41.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 71.2 112.491 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -60.28 -48.05 83.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 63.4 110.916 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -67.9 -31.51 71.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 42.2 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -69.88 -42.79 72.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 51.3 111.139 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.758 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 25.6 mttm -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 70.1 110.908 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -60.12 -32.99 71.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 75.4 110.921 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 t -63.52 -43.92 95.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 51.3 110.856 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD12 HG22 ' A' ' 48' ' ' VAL . 30.6 mt -72.21 -33.95 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 64.2 111.108 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -60.29 -42.72 96.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.887 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.494 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.15 -36.39 74.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 75.1 111.111 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 26.7 mtmt -75.03 -40.87 60.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 75.5 110.898 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.85 -31.17 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 53.5 110.957 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -82.38 -31.62 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 65.1 110.913 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -71.65 -48.46 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 72.1 110.871 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.4 m-85 -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.929 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.48 -36.54 78.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.1 110.917 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.05 -41.87 90.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 73.2 110.895 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -72.74 -49.79 28.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.928 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.05 -36.57 77.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.089 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -62.65 -45.95 90.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 52.2 110.88 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 tttm -74.61 -38.01 62.7 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.002 -0.545 . . . . 63.2 110.659 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.0 -52.1 66.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.387 -0.37 . . . . 63.2 110.939 179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.652 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.1 pttp -67.83 -27.86 67.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.151 -0.477 . . . . 63.2 110.896 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.67 -56.73 16.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 73.2 111.209 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.1 p90 -67.41 -36.4 81.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.536 -0.302 . . . . 73.1 110.757 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.515 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -63.0 -36.54 83.87 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.035 -0.529 . . . . 71.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -82.03 -31.49 30.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.725 0.297 . . . . 72.3 110.92 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.266 -0.425 . . . . 62.1 110.892 179.776 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.839 0.352 . . . . 74.2 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 tp -66.14 -41.93 89.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 70.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.28 -31.55 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.2 110.912 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -82.31 -31.57 29.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 60.3 110.918 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.88 -39.03 87.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 44.2 111.107 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.33 -38.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 64.5 111.094 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.49 -44.97 95.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 71.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.3 mt -73.29 -39.19 65.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.1 110.879 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.72 98.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 72.2 111.085 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.4 m -63.37 -41.97 98.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 71.2 110.925 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mtpp -68.93 -40.65 78.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.889 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -61.82 -45.83 92.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.121 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.11 -32.42 73.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 33.1 111.091 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -36.4 34.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 72.4 110.937 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -63.39 -46.04 88.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.316 -0.402 . . . . 72.1 110.908 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.519 ' OD2' HD11 ' A' ' 75' ' ' LEU . 13.8 t0 -64.67 -51.04 64.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.3 110.878 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 64.5 110.792 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -41.06 64.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 73.1 110.841 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 152.63 -29.05 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.701 -0.762 . . . . 64.1 112.584 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -73.6 116.38 14.1 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.61 -0.347 . . . . 60.4 110.932 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.402 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -104.01 -41.83 5.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 75.3 110.93 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.5 -52.72 63.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.225 -0.443 . . . . 73.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -64.57 -43.28 94.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 74.3 111.058 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.52 -36.24 81.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 54.2 111.094 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.653 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.9 tp -60.4 -48.93 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 73.2 110.91 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.35 -33.3 75.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 74.1 110.93 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 30.7 mt -72.57 -37.27 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 34.2 110.865 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.599 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 14.9 m-85 -60.34 -47.05 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 62.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -62.48 -40.1 95.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.912 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.555 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.78 -43.13 98.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 75.3 110.938 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.37 -41.3 89.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.3 111.093 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -67.74 -37.3 78.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.3 111.089 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -60.22 -47.98 83.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.5 110.907 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.617 ' O ' HG23 ' A' ' 47' ' ' VAL . 68.1 m-85 -72.44 -38.5 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 73.4 110.917 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.403 ' CD2' ' O ' ' A' ' 40' ' ' ALA . 4.2 m-85 -60.37 -52.6 64.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 72.2 110.887 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.03 -34.44 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 75.4 110.873 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -62.56 -38.99 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 75.2 110.863 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' ' 52' ' ' ALA . 30.3 t -62.11 -52.57 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 52.1 111.063 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.756 HG13 ' HG2' ' A' ' 58' ' ' LYS . 21.5 t -73.03 -36.04 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 71.3 111.123 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -59.75 -30.76 69.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.919 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -104.29 -61.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 73.3 110.944 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -176.61 105.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 65.2 110.949 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.633 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -83.97 -169.84 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 72.2 111.097 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -61.84 -42.15 98.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.1 110.895 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.17 -150.43 7.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.739 . . . . 75.1 112.505 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -81.24 -56.19 4.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 72.2 110.924 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.8 mmmt -60.1 -33.67 72.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 63.2 110.913 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.15 -43.99 97.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 73.5 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.756 ' HG2' HG13 ' A' ' 48' ' ' VAL . 65.0 mttt -60.04 -42.88 95.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 74.5 110.891 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.11 -33.02 71.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 63.1 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.6 t -69.97 -37.0 75.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 61.2 110.917 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 48' ' ' VAL . 38.8 mt -73.89 -33.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.2 111.062 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mtp85 -60.8 -48.04 83.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.4 110.885 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.28 -32.27 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 54.2 111.066 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -76.16 -43.01 44.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.896 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.6 m -60.15 -30.9 69.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 53.2 110.897 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.42 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.3 t -82.41 -31.53 29.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 74.3 110.865 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.2 -47.65 73.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -69.15 -41.34 77.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.5 110.925 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.9 mt -60.34 -31.58 70.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.926 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.6 -50.31 32.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.1 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.88 -37.32 84.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 73.2 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.39 69.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 54.2 111.062 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.86 -43.25 98.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.1 110.91 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -74.33 -37.74 63.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.947 -0.57 . . . . 75.2 110.958 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.519 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.04 -52.45 65.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.221 0.534 . . . . 62.3 110.875 179.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HB3' HD21 ' A' ' 34' ' ' LEU . 3.1 ptmt -67.62 -28.12 67.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.942 -0.572 . . . . 72.4 110.867 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -53.99 -56.98 12.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.094 -0.503 . . . . 54.3 111.263 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.451 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.82 -36.13 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 55.4 110.626 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.469 HD12 HD22 ' A' ' 34' ' ' LEU . 72.0 mt -62.9 -34.96 78.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.265 -0.425 . . . . 65.5 111.106 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -81.52 -31.7 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 54.2 111.105 179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 74.4 110.965 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.809 0.337 . . . . 61.1 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -69.9 -46.08 66.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -60.36 -32.9 71.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.4 110.88 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -73.2 -32.47 64.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.92 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -70.72 -36.58 73.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.4 111.118 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.81 -36.45 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 74.1 111.108 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -60.8 -44.8 96.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 51.1 110.921 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.761 HD13 ' HB3' ' A' ' 39' ' ' HIS . 8.0 mt -71.61 -37.14 70.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.1 110.883 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.74 94.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.2 111.101 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -67.28 -43.4 81.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 63.1 110.899 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -69.24 -40.93 77.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 75.5 110.905 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.694 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.91 -46.72 88.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 72.5 111.131 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.6 82.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 64.2 111.132 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -75.17 -31.72 61.06 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.2 -0.454 . . . . 71.3 111.038 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.33 -52.68 63.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.259 -0.428 . . . . 72.3 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.16 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 61.4 110.902 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -61.89 -35.64 78.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.898 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.54 -28.19 64.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 70.0 111.32 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.91 34.8 0.94 Allowed Glycine 0 C--N 1.337 0.637 0 C-N-CA 120.625 -0.798 . . . . 34.3 112.461 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -131.32 93.25 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 70.2 110.839 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -84.34 -31.31 24.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 71.3 110.897 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -67.14 -55.19 15.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.897 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' O ' HD12 ' A' ' 36' ' ' LEU . 3.3 tp10 -67.27 -42.4 83.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.877 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -61.48 -37.86 85.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 71.2 111.08 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD22 HD12 ' A' ' 79' ' ' LEU . 65.6 tp -60.03 -51.76 68.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 70.1 110.856 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.08 -30.97 71.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.2 110.896 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD23 ' CD2' ' A' ' 17' ' ' LEU . 11.1 mt -75.29 -40.16 58.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 60.4 110.908 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 41' ' ' VAL . 12.9 m-85 -59.45 -39.22 82.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.5 110.902 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -70.56 -39.05 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.3 110.887 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.761 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.4 m170 -60.59 -46.21 91.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.64 -42.45 92.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 54.4 111.111 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.8 t -65.37 -35.75 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 64.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -63.83 -49.31 73.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.2 110.881 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.584 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 69.3 m-85 -68.75 -35.76 77.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 75.2 110.934 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 6.0 m-85 -63.45 -54.17 40.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.5 110.925 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -61.67 -31.59 71.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 63.3 110.865 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.49 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 42.3 t60 -60.28 -40.95 92.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 64.1 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.5 t -70.58 -34.21 56.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.4 111.106 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.76 HG22 HD12 ' A' ' 61' ' ' ILE . 21.5 t -77.56 -36.19 22.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 73.3 111.133 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.91 -40.85 68.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.1 110.885 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.6 m-85 -78.98 -72.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.921 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -166.36 98.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 74.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -71.63 -169.91 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.4 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -82.04 -54.8 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 62.5 110.886 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.598 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -159.01 -176.52 31.15 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 63.1 112.542 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -60.36 -49.21 78.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.752 0.31 . . . . 62.5 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -36.56 83.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 63.5 110.924 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.598 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.86 -42.39 99.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 62.5 111.092 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 30.3 mttt -60.31 -43.89 95.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 74.1 110.922 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.37 -32.98 71.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 54.3 110.856 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -40.43 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 70.2 110.925 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.76 HD12 HG22 ' A' ' 48' ' ' VAL . 34.4 mt -69.95 -33.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.5 111.057 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -62.22 -41.0 98.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.893 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.58 -29.62 63.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 53.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.3 mtpp -83.01 -38.32 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 75.5 110.916 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -64.92 -30.98 72.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 64.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.2 t -86.4 -29.73 22.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 74.2 110.901 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -68.28 -47.38 67.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 64.1 110.824 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -73.98 -40.45 62.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 73.2 110.936 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.55 HD11 HG11 ' A' ' 41' ' ' VAL . 18.0 mt -59.84 -44.24 94.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 70.3 110.892 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -62.81 -43.53 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 73.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.648 ' O ' HD13 ' A' ' 75' ' ' LEU . 13.2 mtp85 -68.6 -38.76 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 74.2 110.886 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.537 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -75.84 -35.42 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.102 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.13 -40.8 91.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 65.1 110.903 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -72.77 -37.79 67.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 75.2 110.618 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.648 HD13 ' O ' ' A' ' 71' ' ' ARG . 4.5 mp -59.43 -52.06 67.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.984 0.421 . . . . 70.1 110.849 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.51 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 pttm -65.57 -28.04 68.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.891 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -56.64 -54.42 46.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.105 -0.498 . . . . 64.0 111.262 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -76.86 -37.71 55.05 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.353 -0.385 . . . . 62.1 110.922 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.696 HD12 HD22 ' A' ' 34' ' ' LEU . 23.0 mt -59.0 -30.28 67.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 71.1 111.028 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 mttp -87.28 -31.21 20.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 75.3 110.867 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 . . . . . 0 C--O 1.236 0.386 0 CA-C-N 116.172 -0.467 . . . . 65.2 110.88 -179.816 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.333 . . . . 75.3 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tp -74.33 -38.64 63.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 45.2 110.898 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.31 -38.03 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 54.1 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.775 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -75.45 -35.53 60.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 63.3 110.871 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.95 -39.19 84.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 61.5 111.155 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.5 mt -77.79 -31.22 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 72.2 111.145 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.59 -46.76 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 64.1 110.928 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.0 mt -64.93 -40.5 95.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.881 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.85 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.2 111.101 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 72.3 110.894 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -67.94 -31.7 71.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 72.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -68.52 -48.3 64.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 65.2 111.074 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.89 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.123 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -80.18 -35.12 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 62.2 110.937 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.4 -48.27 76.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.188 -0.46 . . . . 73.1 110.795 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -65.26 -44.72 87.19 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.896 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -62.44 -31.94 72.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.142 -0.481 . . . . 65.4 110.959 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.43 -44.11 53.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 70.3 111.326 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.67 -30.87 0.62 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.805 -0.712 . . . . 52.2 112.489 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -71.17 118.64 14.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.565 0.222 . . . . 64.2 111.37 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.5 m-85 -106.57 -35.95 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 73.4 110.905 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -60.02 -53.66 55.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 71.5 110.838 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -69.16 -32.83 72.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 71.4 110.999 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.35 -39.7 77.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 72.1 111.102 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.805 HD21 ' HB3' ' A' ' 76' ' ' LYS . 56.1 tp -60.3 -52.25 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 62.2 110.91 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -60.53 -31.67 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 62.2 110.878 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 23.1 mt -73.65 -40.99 63.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.1 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 41' ' ' VAL . 22.8 m-85 -60.32 -38.34 83.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.943 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -69.09 -41.55 77.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 72.4 110.92 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.721 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.5 m170 -60.78 -44.25 97.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.5 110.923 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.81 -47.06 87.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 70.4 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.6 t -64.31 -33.1 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 55.2 111.111 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -64.8 -49.97 68.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.878 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.1 m-85 -72.08 -36.26 69.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 71.1 110.869 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.461 ' O ' HG23 ' A' ' 48' ' ' VAL . 5.6 m-85 -61.24 -56.16 23.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 71.4 110.89 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.9 mt -60.34 -31.62 70.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 63.4 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 40.3 t60 -60.61 -37.8 82.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 65.1 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.5 t -77.08 -40.2 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 71.4 111.139 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -67.92 -39.62 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.125 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -71.76 -54.87 8.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 54.4 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 9.0 m-85 -60.32 -73.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.9 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.06 91.22 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 34.3 110.916 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -60.13 -176.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.3 111.069 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -84.9 -45.72 11.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.897 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.8 -179.84 41.2 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.764 -0.732 . . . . 25.3 112.507 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.28 -53.0 62.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 74.3 110.932 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -60.36 -32.78 71.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 75.4 110.883 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.16 -43.65 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.135 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -60.11 -48.41 81.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 70.4 110.943 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -60.18 -32.98 71.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 51.2 110.938 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.6 -47.57 75.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.5 110.911 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.438 HG23 ' CD1' ' A' ' 44' ' ' PHE . 32.1 mt -71.29 -33.98 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 74.3 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -60.0 -41.41 92.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 75.1 110.85 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.52 ' O ' HG22 ' A' ' 66' ' ' THR . . . -71.09 -36.42 72.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 73.2 111.138 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -76.3 -37.27 57.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 72.2 110.953 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -64.9 -31.13 72.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 54.1 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.52 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.8 t -80.53 -31.57 37.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 71.4 110.902 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -70.59 -47.93 57.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.4 110.936 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -69.8 -39.75 76.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 71.3 110.918 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.8 mt -60.57 -43.24 97.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 70.3 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -60.24 -47.85 84.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.2 110.9 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 mmm-85 -69.28 -48.75 60.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 73.4 110.874 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 55.5 111.09 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.34 -45.39 93.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 72.2 110.932 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mmtm -72.38 -37.36 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.4 110.898 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.25 -51.72 68.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 73.4 110.804 -179.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.805 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.3 pttp -65.94 -28.09 68.66 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 75.1 110.86 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -56.11 -54.81 40.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 74.4 111.231 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.446 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 3.9 p90 -74.73 -36.76 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.211 0.529 . . . . 73.4 111.194 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 22.9 mt -59.71 -35.49 74.61 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.867 -0.606 . . . . 72.1 110.861 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.91 -31.56 22.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.108 -0.496 . . . . 52.5 111.024 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m120 . . . . . 0 C--O 1.235 0.31 0 CA-C-O 120.852 0.358 . . . . 74.3 110.876 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 61.3 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD13 HG11 ' A' ' 47' ' ' VAL . 8.8 tp -72.21 -45.17 61.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 70.1 110.883 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -60.33 -31.6 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 44.4 110.881 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.656 ' HG3' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -77.48 -31.63 53.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 72.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -69.27 -36.81 77.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 74.3 111.114 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.56 -38.88 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 71.1 111.114 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -63.14 -45.67 90.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 73.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.656 HD12 ' HG3' ' A' ' 13' ' ' LYS . 6.7 mt -72.1 -33.74 68.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 61.3 110.904 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.51 74.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.4 111.097 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 t -61.23 -43.8 98.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 53.4 110.908 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -63.43 -37.38 87.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.3 110.865 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . . . -65.33 -47.61 75.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 62.4 111.083 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.48 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 54.1 111.115 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -83.0 -31.99 27.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.635 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.06 -43.38 74.74 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.462 -0.336 . . . . 71.1 110.904 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.776 ' OD1' HD21 ' A' ' 75' ' ' LEU . 1.4 t70 -69.96 -45.91 66.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 72.1 110.929 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -60.14 -31.86 70.48 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 116.196 -0.456 . . . . 72.4 110.721 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.72 -32.51 57.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.572 -0.285 . . . . 61.2 111.154 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.93 -28.57 2.13 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.604 -0.808 . . . . 52.0 112.805 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -70.04 109.91 4.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.34 . . . . 54.5 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.477 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -99.6 -33.66 10.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.924 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.71 -53.23 35.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.196 -0.457 . . . . 73.1 110.93 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.78 -45.13 87.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 73.4 110.778 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -60.23 -36.19 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 60.1 111.094 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD21 ' HB3' ' A' ' 76' ' ' LYS . 43.6 tp -60.31 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 65.4 110.89 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -32.08 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.893 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 33' ' ' ALA . 12.2 mt -76.45 -37.97 56.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 75.5 110.9 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.626 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.8 m-85 -60.5 -43.22 97.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.26 -43.91 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 72.5 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.529 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.9 m170 -60.44 -42.49 96.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.4 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.23 93.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 74.2 111.141 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 37' ' ' TYR . 26.9 t -66.84 -38.37 81.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 41.4 111.054 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -60.77 -49.51 77.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 72.3 110.874 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.5 m-85 -70.08 -39.78 75.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.2 110.914 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -60.13 -55.52 32.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.3 110.897 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.07 -32.91 71.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -60.98 -42.92 99.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.904 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.759 HG12 ' HA ' ' A' ' 52' ' ' ALA . 20.3 t -61.26 -53.25 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.1 111.183 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -69.14 -36.15 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.09 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -32.3 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -103.38 -66.22 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 73.0 110.952 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -158.5 96.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.921 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.759 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -66.11 -169.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.443 . . . . 73.1 111.081 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' NE2' HD22 ' A' ' 11' ' ' LEU . 24.2 mm-40 -90.75 -33.68 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 74.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.38 -177.57 46.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 45.2 112.511 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -59.98 -55.72 30.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 74.2 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -60.23 -30.97 69.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.909 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.123 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -59.66 -53.39 58.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.83 -33.01 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.883 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.4 t -66.35 -48.01 71.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.869 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.6 mt -70.44 -33.89 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.087 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -59.05 -46.65 87.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.4 110.896 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.409 ' O ' HG22 ' A' ' 66' ' ' THR . . . -68.85 -31.87 71.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.2 111.05 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -76.72 -41.21 46.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.499 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.7 m -61.92 -30.76 71.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 64.3 110.906 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.7 t -81.71 -31.34 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 70.1 110.92 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -72.62 -47.63 46.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -65.29 -43.24 91.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 73.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 65' ' ' CYS . 16.4 mt -60.26 -38.73 84.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 53.3 110.939 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -60.22 -46.54 89.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 72.1 110.935 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -70.58 -50.59 35.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 72.2 110.878 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 62.1 111.096 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.4 -48.79 80.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 71.1 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -74.97 -32.45 61.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.009 -0.541 . . . . 74.5 111.136 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.776 HD21 ' OD1' ' A' ' 25' ' ' ASP . 0.1 OUTLIER -61.01 -51.83 67.58 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.973 -0.558 . . . . 62.3 110.845 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB3' HD21 ' A' ' 34' ' ' LEU . 9.6 pttt -69.44 -27.86 65.61 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.129 -0.487 . . . . 63.4 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -54.69 -54.44 41.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.242 -0.435 . . . . 63.3 111.044 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.477 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 5.3 p90 -70.49 -33.65 71.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.159 0.504 . . . . 72.5 110.915 -179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.464 HD12 HD22 ' A' ' 34' ' ' LEU . 58.9 mt -67.39 -35.09 78.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.41 -0.359 . . . . 73.5 110.869 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.21 -42.34 31.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.133 -0.485 . . . . 74.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.757 -0.656 . . . . 65.1 110.993 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.8 m120 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.816 0.341 . . . . 74.0 110.894 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD22 ' NE2' ' A' ' 53' ' ' GLN . 6.8 tp -72.03 -38.48 69.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 75.4 110.927 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -60.18 -41.52 93.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.927 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.697 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -72.02 -34.82 69.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.926 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.31 84.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.12 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.4 mt -76.99 -31.11 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.0 111.103 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -70.45 -50.1 41.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 50.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD11 ' HD3' ' A' ' 13' ' ' LYS . 9.7 mt -60.9 -39.29 88.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.926 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.11 -44.62 94.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 73.2 111.089 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -61.44 -38.62 87.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.5 110.903 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -69.94 -44.9 68.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.5 110.907 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -62.7 -48.98 76.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 62.1 111.089 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.31 75.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 64.4 111.096 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -81.92 -31.49 31.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.104 0.478 . . . . 73.4 111.186 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.88 -46.6 62.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.0 -0.545 . . . . 73.4 110.849 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.24 -47.03 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 63.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.64 -32.19 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.285 0.564 . . . . 75.1 110.986 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.21 -43.26 34.3 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.898 -0.592 . . . . 72.4 110.867 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.78 -29.48 0.49 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.901 -0.666 . . . . 52.2 112.624 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -73.22 112.21 9.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 63.3 110.888 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.503 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -102.87 -38.06 7.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.3 110.881 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.37 -56.26 23.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 71.2 110.98 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.04 -33.73 76.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 62.2 110.895 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 37' ' ' TYR . . . -69.6 -36.23 76.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 42.1 111.097 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 75' ' ' LEU . 33.2 tp -60.2 -52.45 65.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 74.4 110.879 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -62.97 -31.52 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.2 110.958 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.0 mt -74.45 -38.44 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 74.3 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB1' ' A' ' 21' ' ' ALA . 15.7 m-85 -60.3 -44.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.3 110.888 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -66.74 -36.84 83.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 71.2 110.918 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.563 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.6 m170 -62.35 -44.44 96.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 71.1 110.918 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -46.04 86.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 71.4 111.12 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 37' ' ' TYR . 30.0 t -63.18 -40.33 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 72.3 111.077 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -60.03 -46.37 89.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.908 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 47' ' ' VAL . 62.8 m-85 -71.89 -30.81 65.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 75.3 110.937 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.762 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.0 m-85 -71.18 -50.47 32.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 74.1 110.88 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 41' ' ' VAL . 7.8 mp -60.19 -31.36 70.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 73.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.415 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 62.9 t60 -68.01 -40.55 82.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.929 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.0 t -76.09 -43.25 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 73.2 111.044 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.828 HG22 HD12 ' A' ' 61' ' ' ILE . 29.3 t -62.82 -36.11 74.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 70.1 111.096 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -77.88 -45.36 24.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.898 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.415 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -67.56 -73.2 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 71.3 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.2 94.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.2 110.868 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB3' ' CE ' ' A' ' 58' ' ' LYS . . . -62.84 -176.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 45.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' NE2' HD22 ' A' ' 11' ' ' LEU . 71.6 mm-40 -82.37 -49.61 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 44.5 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.55 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -165.87 -176.15 36.97 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.744 -0.741 . . . . 33.2 112.53 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.55 -49.91 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.351 . . . . 61.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -67.27 -31.58 72.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.2 110.939 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -70.23 -44.5 68.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.2 111.084 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 18.5 mttm -59.8 -48.44 81.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 70.1 110.894 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -59.89 -33.09 71.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 54.4 110.934 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -62.97 -38.97 93.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 72.3 110.897 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.828 HD12 HG22 ' A' ' 48' ' ' VAL . 35.0 mt -69.75 -34.02 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 71.1 111.043 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -59.21 -46.19 89.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.903 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 66' ' ' THR . . . -66.66 -36.11 81.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.4 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.414 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 31.4 mtmt -75.98 -37.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.4 110.924 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 51.8 t -61.6 -31.63 71.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 50.3 110.903 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.2 t -82.35 -31.32 29.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.902 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -72.38 -47.49 48.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 74.4 110.901 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.548 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 24.1 m-85 -69.22 -42.04 76.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.3 110.924 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.16 -50.3 74.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.914 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -61.13 -47.39 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 73.1 110.915 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -62.12 -46.45 88.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.872 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -69.92 -37.11 75.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 71.2 111.1 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.22 -41.89 94.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 71.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -43.25 77.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.077 -0.511 . . . . 44.1 111.252 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.544 ' CB ' HD13 ' A' ' 34' ' ' LEU . 2.4 mp -58.47 -52.11 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 74.2 110.839 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -61.64 -27.98 69.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 74.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -54.17 50.1 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.106 -0.497 . . . . 62.1 111.096 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.488 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 3.3 p90 -81.89 -37.08 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 75.2 110.875 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 19.4 mt -59.67 -40.18 86.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 70.3 110.93 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.29 -31.86 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.996 -0.547 . . . . 71.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 115.999 -0.546 . . . . 64.3 110.744 -179.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.5 p30 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.841 0.353 . . . . 72.0 110.88 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.636 HD13 HG11 ' A' ' 47' ' ' VAL . 7.4 tp -76.06 -37.83 57.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 52.3 110.977 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -60.38 -36.47 78.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 61.2 110.92 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.3 tttp -75.98 -35.56 59.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.5 110.889 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.52 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 74.4 111.094 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.6 mt -77.51 -33.9 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 63.1 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -68.13 -50.0 57.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.882 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.777 HD11 ' HD3' ' A' ' 13' ' ' LYS . 10.4 mt -62.03 -37.9 86.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.909 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.58 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -44.24 94.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 70.4 111.094 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.3 m -68.88 -43.17 75.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 64.2 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -63.41 -41.79 98.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 50.3 110.906 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.95 -46.99 87.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.1 111.07 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.95 69.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 51.1 111.121 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -77.3 -32.27 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 43.1 111.075 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -69.25 -52.66 25.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.937 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.814 ' OD2' HD21 ' A' ' 75' ' ' LEU . 9.8 t70 -63.65 -31.59 72.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 70.4 110.879 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -74.29 -28.47 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.935 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.49 23.6 6.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 54.2 111.342 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.48 -40.39 2.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.762 . . . . 73.5 112.609 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -57.15 93.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.626 0.251 . . . . 74.4 111.3 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.45 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 2.5 m-85 -89.88 -43.53 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.403 -0.362 . . . . 72.5 110.89 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.34 -54.79 41.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.265 -0.425 . . . . 64.2 111.023 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -59.73 -31.95 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 74.4 110.911 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -70.66 -37.72 73.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 64.4 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 76' ' ' LYS . 53.6 tp -60.09 -44.39 94.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 75.2 110.91 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -65.82 -35.3 80.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.89 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.589 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.2 mt -74.89 -39.31 61.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 70.3 110.89 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.614 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.9 m-85 -60.51 -45.88 92.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 75.4 110.902 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -65.05 -38.56 91.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.955 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.1 m170 -60.28 -47.19 87.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 54.2 110.918 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -57.72 -45.21 86.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 71.4 111.158 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 37' ' ' TYR . 29.9 t -63.5 -42.41 96.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.1 111.014 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -60.26 -45.2 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.4 110.904 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.785 ' O ' HG23 ' A' ' 47' ' ' VAL . 57.0 m-85 -71.11 -31.71 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 73.3 110.879 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 48' ' ' VAL . 8.5 m-85 -72.49 -49.85 30.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.455 HD13 ' O ' ' A' ' 41' ' ' VAL . 8.0 mp -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 60.3 110.861 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 65.0 t60 -69.88 -39.85 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 72.3 110.895 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.5 t -70.41 -54.26 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 61.3 111.113 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG22 HD12 ' A' ' 61' ' ' ILE . 21.6 t -59.84 -41.9 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 62.5 111.109 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' HE3' ' CE1' ' A' ' 50' ' ' TYR . 13.3 ttpp -66.29 -36.77 83.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 74.3 110.932 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.7 m-85 -82.46 -69.09 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.4 110.931 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -169.37 92.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 75.1 110.866 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -59.64 -169.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 55.3 111.106 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' NE2' HD21 ' A' ' 11' ' ' LEU . 11.5 mt-30 -74.75 -46.76 35.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 74.4 110.882 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -167.42 -103.87 0.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 74.0 112.543 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -125.6 -59.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 75.1 110.898 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -59.87 -31.86 70.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.3 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.91 -45.19 93.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.2 111.047 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.479 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 29.5 mttt -60.09 -41.11 91.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 73.5 110.911 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -36.18 75.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 63.3 110.9 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 m -66.98 -36.18 81.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.5 HD12 HG22 ' A' ' 48' ' ' VAL . 42.5 mt -71.97 -34.0 49.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 42.5 111.077 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -60.19 -51.0 71.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 61.4 110.827 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.556 ' O ' HG22 ' A' ' 66' ' ' THR . . . -64.09 -33.76 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 63.2 111.083 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.424 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 52.1 mtmt -76.59 -39.39 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.3 110.872 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 52.3 t -59.94 -30.33 68.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 62.4 110.923 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -84.08 -31.3 25.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 53.3 110.905 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -69.53 -47.54 63.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.903 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 16.4 m-85 -72.01 -38.3 69.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 74.3 110.954 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 17.2 mt -62.42 -48.65 78.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.925 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -61.15 -39.05 88.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.896 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' O ' HD13 ' A' ' 75' ' ' LEU . 15.8 ttt180 -73.86 -49.29 25.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.2 110.885 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.37 -41.53 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 62.5 111.124 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -60.24 -39.3 86.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.3 110.908 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.09 -42.24 63.22 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.14 -0.482 . . . . 61.3 110.642 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.814 HD21 ' OD2' ' A' ' 25' ' ' ASP . 7.6 mp -58.14 -52.08 67.04 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 74.5 110.895 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.672 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.2 ptmt -64.3 -27.93 69.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.853 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -56.77 17.02 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.162 -0.472 . . . . 52.0 111.083 -179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 3.7 p90 -73.1 -35.88 66.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.471 -0.331 . . . . 75.4 110.854 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 64.7 mt -63.6 -31.14 72.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.091 -0.504 . . . . 73.4 110.99 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -79.61 -42.67 24.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 64.1 110.95 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 115.938 -0.574 . . . . 72.2 110.73 -179.911 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 52.1 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.64 -35.13 60.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 34.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -32.06 70.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.895 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.64 -38.51 29.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.908 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.89 -39.87 86.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.3 111.114 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.14 -35.55 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 73.5 111.16 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -62.12 -40.55 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 53.4 110.859 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.5 mt -73.7 -36.52 65.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 74.2 110.906 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.27 91.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 51.2 111.076 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.7 m -70.15 -40.93 74.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 63.4 110.928 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -42.26 68.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 62.1 110.859 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -61.98 -50.48 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 33.3 111.052 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.01 -34.66 73.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 73.2 111.126 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -78.95 -31.69 45.18 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.171 -0.468 . . . . 72.4 111.316 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -68.32 -50.41 53.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 70.0 110.948 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -60.51 -50.52 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 72.1 110.898 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -61.65 -31.43 71.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.231 -0.441 . . . . 75.0 110.671 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.61 -33.81 69.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.201 0.525 . . . . 72.4 111.504 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.45 -31.66 2.02 Favored Glycine 0 C--N 1.337 0.632 0 C-N-CA 120.566 -0.826 . . . . 44.2 112.373 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.34 116.9 15.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.752 0.31 . . . . 71.5 111.056 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.478 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.3 m-85 -102.24 -34.81 9.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 71.1 110.894 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -60.15 -59.35 5.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.216 -0.447 . . . . 71.4 110.749 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -61.96 -35.52 78.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.976 -0.556 . . . . 61.2 110.929 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -67.41 -38.28 84.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 62.2 111.103 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 76' ' ' LYS . 59.7 tp -60.28 -50.93 71.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 75.4 110.912 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.05 -31.57 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 20.1 mt -73.82 -41.65 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.1 110.912 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.842 ' O ' HG23 ' A' ' 41' ' ' VAL . 25.9 m-85 -60.4 -34.36 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 75.1 110.91 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -72.62 -44.34 62.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.5 110.924 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.76 ' HB3' HD13 ' A' ' 17' ' ' LEU . 16.4 m170 -60.46 -43.93 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.89 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.95 -43.04 95.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 52.4 111.094 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.7 t -66.25 -33.32 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 74.2 111.105 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -67.39 -47.12 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 70.1 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.617 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 67.4 m-85 -73.28 -37.89 66.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 73.3 110.89 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.51 -56.19 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 75.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.97 -31.56 71.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 41.5 110.905 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 48.9 t60 -60.33 -37.84 81.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 62.1 110.882 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 43' ' ' TYR . 21.4 t -74.09 -43.97 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 64.1 111.164 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -67.02 -36.11 76.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.1 111.048 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 -42.87 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 73.4 110.861 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 8.3 m-85 -74.91 -73.69 0.23 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 71.3 110.87 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 95.94 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.887 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.571 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -67.48 -176.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.064 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -84.67 -36.03 22.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.2 110.903 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.54 -175.6 47.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 74.1 112.527 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.32 -54.48 45.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 74.2 110.878 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.15 -31.53 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.3 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.28 -43.84 69.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 75.2 111.122 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 19.0 mttm -60.26 -48.29 82.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 75.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -60.18 -33.02 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 64.3 110.875 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -64.44 -45.1 88.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 62.3 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 48' ' ' VAL . 30.8 mt -71.9 -34.01 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 70.1 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.9 mtp85 -60.26 -42.18 94.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 73.1 110.863 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 66' ' ' THR . . . -70.6 -36.22 73.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 30.3 111.118 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -75.47 -39.89 58.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.2 110.929 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.83 -31.11 72.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 72.5 110.914 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.0 t -81.78 -31.5 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 74.3 110.876 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.32 -47.74 40.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.3 110.865 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -66.44 -39.52 88.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 74.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD11 HG11 ' A' ' 41' ' ' VAL . 14.8 mt -66.93 -31.88 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 70.2 110.881 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.9 -53.84 40.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.897 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -65.84 -45.54 81.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 74.4 110.943 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -61.27 -40.57 94.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 61.4 111.095 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -60.25 -42.11 94.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.4 110.888 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -70.76 -41.01 72.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.097 -0.501 . . . . 72.2 110.574 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' HA ' ' CE2' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -59.47 -51.52 69.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.397 -0.365 . . . . 52.2 110.769 -179.558 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HB3' HD21 ' A' ' 34' ' ' LEU . 19.4 pttt -62.85 -27.58 69.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.072 0.463 . . . . 75.4 111.016 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.63 -54.07 51.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.194 -0.457 . . . . 64.5 110.968 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.478 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 4.0 p90 -81.44 -36.73 29.07 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-N 116.311 -0.404 . . . . 74.4 110.466 -179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 34' ' ' LEU . 17.9 mt -60.02 -33.38 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.123 -0.489 . . . . 75.4 110.889 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -86.09 -31.58 21.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 73.1 110.929 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 73.0 111.085 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.5 p30 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 74.2 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.35 -40.1 45.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.871 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.13 -31.47 70.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 73.2 110.951 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -79.25 -37.87 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 71.2 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 43' ' ' TYR . . . -64.05 -40.7 96.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 73.5 111.148 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.8 mt -75.93 -34.88 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 51.4 111.145 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -60.2 -48.87 79.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 39' ' ' HIS . 6.2 mt -67.61 -37.61 82.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.847 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.684 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.94 -33.96 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -79.87 -41.23 26.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -69.88 -45.87 66.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 52.4 110.9 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.621 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.05 -47.95 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 63.1 111.123 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.3 73.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 30.2 111.095 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -79.4 -35.11 41.16 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.207 -0.452 . . . . 70.3 111.366 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -62.45 -52.75 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 72.3 110.893 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.13 -47.32 86.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 74.1 110.871 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -62.44 -31.45 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.44 -46.06 50.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.24 -0.436 . . . . 73.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.63 -28.26 0.54 Allowed Glycine 0 C--O 1.228 -0.248 0 C-N-CA 120.561 -0.828 . . . . 42.1 112.431 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -75.31 121.91 22.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.811 0.339 . . . . 73.4 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.461 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.9 m-85 -108.23 -35.44 6.55 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.202 0.525 . . . . 65.3 111.114 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -59.97 -57.76 11.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 70.5 110.496 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.84 -34.39 78.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 74.2 110.785 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -66.77 -40.49 88.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 51.5 111.082 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.546 HD22 HD12 ' A' ' 79' ' ' LEU . 42.6 tp -60.22 -43.7 95.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.888 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -66.94 -40.34 87.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.3 110.847 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 33' ' ' ALA . 7.1 mt -68.67 -38.22 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 62.1 110.919 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.621 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 13.3 m-85 -60.02 -46.22 90.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 64.3 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -60.21 -40.79 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 74.2 110.924 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 17' ' ' LEU . 24.8 m170 -63.49 -36.5 83.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 75.4 110.924 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.88 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 71.5 111.102 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.834 HG11 HD13 ' A' ' 69' ' ' LEU . 21.8 t -63.76 -36.05 75.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.1 111.09 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -64.31 -44.94 90.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 71.4 110.946 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.6 m-85 -74.34 -36.7 63.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 73.5 110.911 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' A' ' 61' ' ' ILE . 11.0 m-85 -65.76 -48.85 70.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.4 110.937 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.8 mt -63.82 -33.89 76.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.2 110.887 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 41.4 t60 -65.66 -31.69 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 61.4 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 43' ' ' TYR . 26.2 t -79.42 -51.99 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 63.5 111.077 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -64.21 -40.85 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 64.4 111.118 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -65.18 -43.36 91.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.924 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -73.16 -69.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.913 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -173.6 90.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.527 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -64.01 -178.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 72.1 111.088 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -64.57 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.4 110.946 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.587 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -149.68 -157.7 7.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 70.0 112.456 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -73.24 -58.22 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 73.2 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -60.33 -31.57 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 73.2 110.911 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.587 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -62.74 -45.86 90.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.76 -42.73 93.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.2 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -60.65 -32.99 72.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.3 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.43 -46.27 60.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 61.4 110.901 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' A' ' 44' ' ' PHE . 34.3 mt -69.92 -34.0 58.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 54.5 111.076 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mtt-85 -59.49 -49.16 78.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 74.1 110.952 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.531 ' O ' HG22 ' A' ' 66' ' ' THR . . . -65.86 -32.42 73.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 52.2 111.114 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 38.3 mtmt -76.8 -41.43 44.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 63.2 110.939 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.775 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -59.81 -30.55 68.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 75.4 110.939 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.531 HG22 ' O ' ' A' ' 63' ' ' ALA . 9.8 t -82.67 -31.68 28.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -69.25 -47.81 63.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.3 110.899 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.684 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 18.5 m-85 -66.43 -45.2 80.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 73.4 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.834 HD13 HG11 ' A' ' 41' ' ' VAL . 1.9 tp -60.01 -41.51 92.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.931 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.91 -46.83 88.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.5 110.93 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.821 ' O ' HD13 ' A' ' 75' ' ' LEU . 8.2 mmm-85 -63.88 -32.65 74.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.878 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.28 -40.54 51.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 35.4 111.095 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -59.98 -36.86 78.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 75.3 110.945 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -75.44 -39.05 59.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.897 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.821 HD13 ' O ' ' A' ' 71' ' ' ARG . 7.5 mp -62.73 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 70.3 110.886 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' HE2' HD11 ' A' ' 34' ' ' LEU . 3.1 ptpt -64.96 -28.1 69.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.888 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.81 -51.22 70.94 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.361 -0.381 . . . . 61.5 110.99 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' HH ' ' HD2' ' A' ' 30' ' ' TYR . 2.8 p90 -84.23 -37.25 22.02 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 116.626 -0.261 . . . . 74.4 111.231 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.546 HD12 HD22 ' A' ' 34' ' ' LEU . 18.6 mt -60.06 -42.85 95.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.922 -0.581 . . . . 70.4 110.914 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.45 -31.72 37.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.388 -0.369 . . . . 71.2 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 120.979 0.419 . . . . 50.4 110.591 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 74.3 110.935 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 tp -68.32 -44.63 74.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 65.3 110.926 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -60.28 -31.62 70.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 72.1 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -74.39 -31.64 62.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 64.1 110.885 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.442 ' HB2' ' CB ' ' A' ' 43' ' ' TYR . . . -72.48 -36.66 68.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 70.5 111.117 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.1 mt -77.61 -36.88 23.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 72.4 111.091 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.53 -45.41 93.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.1 110.868 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB3' ' A' ' 39' ' ' HIS . 7.1 mt -72.01 -37.51 69.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 74.5 110.871 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.58 72.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 64.4 111.108 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -46.28 35.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -67.67 -42.1 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 55.1 111.015 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -59.92 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 70.5 111.113 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -35.4 74.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 42.3 111.115 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -78.19 -35.42 48.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 63.1 111.025 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 6.7 mm-40 -60.38 -52.62 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.851 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD2' HD11 ' A' ' 75' ' ' LEU . 12.8 t0 -61.41 -47.43 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 65.2 110.858 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -61.09 -31.73 71.41 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 116.223 -0.444 . . . . 73.3 111.003 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.4 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 72.1 111.169 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 147.36 -28.97 1.5 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.402 -0.904 . . . . 75.4 112.482 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -71.86 117.86 13.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 65.2 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.06 -42.31 5.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.902 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -55.46 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.1 111.021 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.28 -42.29 99.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 51.3 110.917 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -63.06 -36.25 82.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 74.2 111.078 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.634 HD22 HD12 ' A' ' 79' ' ' LEU . 58.9 tp -61.45 -49.15 77.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.3 110.858 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -61.25 -35.17 76.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 64.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 17' ' ' LEU . 14.4 mt -72.17 -39.14 68.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 73.1 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.653 ' CD1' ' HB1' ' A' ' 21' ' ' ALA . 17.3 m-85 -60.72 -51.05 71.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -60.13 -37.85 81.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 52.5 110.951 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.739 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.7 m170 -60.59 -45.98 91.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.92 76.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -64.55 -45.73 94.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -60.57 -38.44 84.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 71.3 110.887 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.1 m-85 -75.29 -31.24 60.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 53.2 110.88 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.632 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.1 m-85 -77.8 -50.37 12.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 64.3 110.909 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.31 -31.59 72.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 53.4 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 40.9 t60 -67.55 -48.85 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.3 110.876 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 43' ' ' TYR . 28.5 t -63.32 -48.96 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 70.3 111.072 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 44' ' ' PHE . 27.6 t -63.35 -36.11 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 44.3 111.039 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -74.58 -39.81 62.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 73.2 110.927 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.0 m-85 -77.56 -73.47 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.0 110.927 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -161.61 94.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 73.3 110.875 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -66.28 -176.05 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 74.2 111.138 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -82.51 -39.08 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 64.5 110.883 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.81 178.12 43.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 62.4 112.521 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.19 -55.52 32.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.843 0.354 . . . . 41.5 110.931 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -32.99 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.881 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.08 -39.72 93.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 61.1 111.06 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -61.46 -46.31 90.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 74.4 110.925 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -59.97 -33.02 71.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 71.1 110.871 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -43.86 67.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 64.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.5 mt -71.45 -33.99 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 63.3 111.047 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.14 -44.86 94.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.903 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.51 -27.99 62.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -78.97 -46.37 18.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.065 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 21.7 p -60.27 -33.08 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.949 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 11.9 t -79.3 -31.55 43.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 74.3 110.892 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -62.64 -48.32 79.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.884 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -71.54 -33.49 69.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 64.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 41' ' ' VAL . 14.4 mt -60.26 -44.62 95.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 54.5 110.895 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.1 -44.52 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 72.4 110.932 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -66.89 -47.5 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 71.2 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.58 -32.89 73.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 62.2 111.069 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -60.41 -43.52 96.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 73.3 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.6 mtmt -74.49 -39.19 62.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.165 -0.471 . . . . 62.4 111.204 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.454 HD11 ' OD2' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -58.5 -51.99 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 60.4 110.847 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB3' HD21 ' A' ' 34' ' ' LEU . 20.9 pttt -67.6 -27.89 67.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.877 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -54.5 -56.73 15.78 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.248 -0.433 . . . . 74.5 111.198 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.4 p90 -67.74 -36.54 80.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.396 -0.366 . . . . 73.2 110.637 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.634 HD12 HD22 ' A' ' 34' ' ' LEU . 69.9 mt -62.07 -40.9 97.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.892 0.377 . . . . 73.5 110.893 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -77.27 -32.04 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.5 110.892 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-N 116.158 -0.474 . . . . 74.3 110.831 -179.64 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.4 m120 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.832 0.349 . . . . 72.4 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.7 tp -68.14 -46.27 71.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.4 110.945 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -60.04 -35.09 74.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 73.4 110.874 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' CE ' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -77.76 -31.35 51.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 74.0 110.948 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.559 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -66.73 -38.45 86.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 53.4 111.095 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.1 mt -76.11 -33.6 24.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 53.5 111.123 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.24 -40.6 90.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.5 110.876 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.595 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.4 mt -74.0 -42.23 60.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 63.2 110.878 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -59.97 -44.37 94.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 53.3 111.11 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 56.9 m -60.36 -47.99 83.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 54.4 110.935 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -71.12 -36.7 72.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.931 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.561 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -65.45 -47.88 74.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 63.1 111.089 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.95 76.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 41.1 111.093 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -76.43 -31.96 58.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.4 110.793 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.0 -49.01 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.87 0.367 . . . . 71.2 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -60.53 -48.74 80.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 63.4 110.879 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -64.51 -33.88 76.93 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.17 -0.468 . . . . 54.1 111.179 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.92 -47.28 66.15 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.895 -0.593 . . . . 72.1 111.109 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.39 -31.84 0.49 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.134 -0.555 . . . . 60.3 112.787 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -74.26 117.16 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.873 0.368 . . . . 64.3 110.844 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.4 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -103.87 -39.14 6.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.35 -54.97 39.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 61.5 111.058 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -62.2 -36.0 80.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 73.5 110.687 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.55 -38.82 92.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 72.2 111.123 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 72' ' ' ALA . 45.8 tp -60.24 -48.07 83.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 55.3 110.919 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -35.44 75.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 64.5 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 33' ' ' ALA . 6.5 mt -76.91 -38.63 53.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.913 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.683 ' O ' HG23 ' A' ' 41' ' ' VAL . 15.6 m-85 -60.31 -43.62 96.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 74.3 110.929 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -66.72 -42.15 86.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 75.5 110.905 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.595 ' HB3' HD13 ' A' ' 17' ' ' LEU . 6.7 m170 -60.34 -44.2 95.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 62.4 110.897 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.1 92.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 34.1 111.116 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 37' ' ' TYR . 28.2 t -65.02 -32.15 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 74.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.7 -45.28 75.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 70.5 110.918 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.559 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 72.6 m-85 -75.34 -32.55 60.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 65.4 110.872 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.728 ' O ' HG23 ' A' ' 48' ' ' VAL . 7.0 m-85 -67.65 -38.84 84.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 73.4 110.926 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -75.7 -30.87 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.881 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 56.9 t60 -63.1 -55.64 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 75.5 111.004 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 48' ' ' VAL . 11.1 p -59.54 -43.61 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 74.2 111.131 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.781 HG22 HD12 ' A' ' 61' ' ' ILE . 35.9 t -69.74 -40.76 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.1 111.07 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 4.0 ttpt -69.63 -42.78 73.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 73.1 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.4 m-85 -72.67 -71.12 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.1 110.919 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.75 92.51 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.894 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.547 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . . . -59.85 -176.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 61.3 111.142 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -83.97 -41.48 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 64.1 110.926 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.506 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -169.3 -176.9 39.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.485 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.52 -55.11 37.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.866 0.365 . . . . 74.2 110.902 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -62.48 -32.91 73.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -65.04 -46.47 81.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 54.4 111.089 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 57.2 mttt -60.31 -42.49 95.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.867 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.34 -33.01 71.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 60.3 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -43.39 71.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 73.3 110.882 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.781 HD12 HG22 ' A' ' 48' ' ' VAL . 32.9 mt -69.76 -33.98 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.3 111.097 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -60.68 -46.78 89.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.13 75.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 65.4 111.114 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 11.9 mtmt -73.28 -43.26 61.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 70.3 110.867 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.567 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.6 m -60.03 -30.79 69.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.878 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.3 t -85.32 -31.69 22.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 72.4 110.859 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -69.25 -47.87 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 65.2 110.885 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.621 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 17.3 m-85 -71.49 -39.76 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 74.1 110.941 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.567 HD12 ' O ' ' A' ' 65' ' ' CYS . 17.1 mt -60.27 -44.78 95.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.3 110.876 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -62.64 -39.57 94.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.2 110.902 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' O ' HD13 ' A' ' 75' ' ' LEU . 9.4 tpt180 -72.19 -49.92 31.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 72.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -65.06 -38.79 91.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 64.4 111.061 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -60.17 -40.09 88.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 62.2 110.937 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -71.17 -41.28 70.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 73.4 110.995 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 71' ' ' ARG . 6.3 mp -59.14 -52.04 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 73.1 110.834 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.574 ' HB3' HD21 ' A' ' 34' ' ' LEU . 14.3 ptmt -62.82 -27.87 69.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 75.3 110.753 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.59 -52.6 65.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 72.1 111.043 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' ' HA ' ' A' ' 75' ' ' LEU . 3.6 p90 -83.84 -33.41 24.89 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.844 0.354 . . . . 75.3 110.778 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 78' ' ' TYR . 23.6 mt -65.97 -36.83 84.4 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 120.894 0.378 . . . . 74.2 110.752 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 -31.31 28.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 70.1 110.828 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.497 -0.319 . . . . 55.4 110.922 179.851 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.809 0.338 . . . . 74.0 110.879 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.661 HD13 HG11 ' A' ' 47' ' ' VAL . 6.8 tp -71.18 -39.07 72.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.2 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -60.26 -33.88 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 73.5 110.888 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.681 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -78.84 -36.07 43.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.913 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -59.97 -37.53 79.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 65.1 111.09 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.2 mt -77.37 -38.85 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.115 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.29 -45.02 86.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.1 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -62.52 -42.88 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 75.3 110.943 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.97 -46.83 88.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 43.3 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -48.2 82.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 64.2 110.857 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -63.4 -42.73 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.2 110.905 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' ' CB ' ' A' ' 36' ' ' LEU . . . -60.2 -45.1 94.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 75.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -31.58 70.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 71.3 111.04 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -78.98 -36.57 41.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 71.5 110.88 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.52 -52.72 63.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.1 110.906 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.685 ' OD2' HD21 ' A' ' 75' ' ' LEU . 10.1 t70 -64.89 -44.89 88.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 70.2 110.881 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -63.5 -31.83 73.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.942 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.17 -43.38 34.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.235 -0.438 . . . . 75.4 111.447 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.44 -29.85 0.46 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.054 -0.593 . . . . 71.4 112.812 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -74.33 112.73 10.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 73.2 110.801 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.469 ' O ' HD23 ' A' ' 75' ' ' LEU . 3.3 m-85 -98.86 -36.69 9.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.868 0.366 . . . . 75.1 111.081 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -64.69 -53.31 49.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 63.1 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.48 -36.65 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 60.2 110.92 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 37' ' ' TYR . . . -64.18 -38.47 91.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 60.4 111.067 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.634 HD12 ' HB1' ' A' ' 72' ' ' ALA . 46.6 tp -60.27 -49.23 78.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.909 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 63.3 110.881 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 11.9 mt -74.65 -40.23 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 54.3 110.924 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.52 ' CE2' ' HB1' ' A' ' 33' ' ' ALA . 17.3 m-85 -60.39 -49.81 76.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 65.4 110.893 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -60.6 -38.89 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 54.1 110.923 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.413 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.9 m170 -60.29 -44.64 95.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.85 -46.89 87.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.079 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 37' ' ' TYR . 21.5 t -61.17 -35.08 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.131 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -65.36 -49.75 68.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 65.1 110.883 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 47' ' ' VAL . 66.6 m-85 -72.56 -36.45 68.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 73.2 110.887 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.422 ' CE2' ' HB1' ' A' ' 40' ' ' ALA . 5.6 m-85 -61.19 -56.29 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.4 110.883 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.2 mt -60.71 -31.58 70.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.5 110.886 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.494 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 45.5 t60 -60.28 -37.79 81.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 73.4 110.898 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.661 HG11 HD13 ' A' ' 11' ' ' LEU . 21.4 t -74.36 -34.1 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 60.4 111.152 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.6 t -77.15 -36.18 24.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 54.2 111.09 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.17 -31.66 61.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 71.4 110.921 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -87.56 -72.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.932 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -162.47 97.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 70.1 110.895 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -72.23 -169.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 71.1 111.11 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -89.44 -36.25 15.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 54.1 110.884 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.76 -173.97 46.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.5 112.53 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.36 -55.98 27.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 62.3 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tttp -59.97 -30.96 69.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.4 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.11 44.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 54.5 111.096 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 31.1 mttt -60.08 -52.57 64.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 75.2 110.915 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -33.05 70.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.904 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 m -63.47 -44.64 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 53.4 110.92 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.0 mt -71.05 -33.99 53.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 71.3 111.015 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -44.57 93.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 73.3 110.924 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.47 -33.52 73.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 73.5 111.033 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -76.27 -42.08 46.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.94 -31.0 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 74.1 110.896 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.1 t -81.87 -31.48 31.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 52.3 110.89 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.33 -47.63 67.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 73.2 110.877 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -69.41 -36.42 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 75.1 110.94 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.26 -37.28 79.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.941 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -69.45 -43.07 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.4 110.912 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.507 ' O ' HD13 ' A' ' 75' ' ' LEU . 24.5 ttt180 -67.45 -51.78 47.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 74.2 110.939 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.634 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -59.93 -41.82 92.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 72.1 111.109 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -34.42 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 71.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -72.38 -42.36 65.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 74.4 110.928 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.685 HD21 ' OD2' ' A' ' 25' ' ' ASP . 8.9 mp -59.25 -52.02 67.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 64.1 110.916 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.474 ' HB3' HD21 ' A' ' 34' ' ' LEU . 15.1 pttt -63.15 -27.89 69.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.1 110.846 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.65 -56.92 15.69 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.206 -0.452 . . . . 71.0 110.989 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CZ ' ' HG ' ' A' ' 79' ' ' LEU . 4.4 p90 -76.37 -37.8 56.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.197 0.523 . . . . 65.2 110.875 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HG ' ' CZ ' ' A' ' 78' ' ' TYR . 27.1 mt -58.8 -31.12 68.14 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.016 -0.538 . . . . 73.3 110.902 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -79.86 -42.91 23.28 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.449 -0.341 . . . . 73.0 110.828 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.448 -0.525 0 CA-C-O 120.936 0.398 . . . . 72.4 110.885 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.791 0.329 . . . . 70.1 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' HB2' HG21 ' A' ' 47' ' ' VAL . 11.0 tp -69.49 -35.92 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.3 110.889 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.54 -49.32 78.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.75 ' HD3' HD11 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -65.05 -34.91 79.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.861 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.43 -44.24 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 24.4 111.088 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -68.89 -33.5 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 55.4 111.06 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -70.92 -49.57 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 63.3 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.75 HD11 ' HD3' ' A' ' 13' ' ' LYS . 14.7 mt -61.23 -41.18 96.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 74.4 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.41 -42.24 92.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 70.3 111.093 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.3 m -61.64 -44.0 97.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.896 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -70.62 -39.16 73.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 64.2 110.956 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB1' ' CD1' ' A' ' 37' ' ' TYR . . . -60.14 -47.49 85.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.1 111.101 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.85 89.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 63.4 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -74.36 -31.49 62.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 74.3 111.106 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -69.66 -38.7 77.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 73.4 110.889 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.04 -51.04 27.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 54.2 110.921 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -31.39 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.3 111.114 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.68 -35.3 72.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 71.5 111.234 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 145.38 -28.74 1.79 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.973 -0.632 . . . . 51.2 112.591 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -75.26 115.5 14.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.793 0.33 . . . . 62.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -104.64 -36.04 7.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 75.3 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -64.51 -55.49 20.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.224 -0.443 . . . . 62.2 111.096 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -41.91 99.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 75.1 110.955 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -62.35 -36.24 81.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 44.1 111.082 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 76' ' ' LYS . 55.0 tp -60.29 -50.2 74.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.3 110.939 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -62.57 -31.59 72.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 74.4 110.863 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 33' ' ' ALA . 16.0 mt -76.08 -37.2 58.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.4 110.931 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.663 ' O ' HG23 ' A' ' 41' ' ' VAL . 14.2 m-85 -60.64 -44.32 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.887 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.38 -40.64 85.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 44.3 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.7 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 m170 -60.55 -44.91 95.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.91 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.63 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 71.4 111.073 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -66.26 -35.95 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.3 111.067 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.42 -47.86 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.899 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . 66.3 m-85 -72.6 -38.24 67.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 73.2 110.91 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.2 m-85 -60.21 -55.04 38.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 70.4 110.941 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.65 -31.18 70.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 75.4 110.916 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 46.3 t60 -60.54 -38.47 84.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.923 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' ' 52' ' ' ALA . 21.7 t -77.03 -34.17 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 72.3 111.136 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 44' ' ' PHE . 21.5 t -77.42 -36.09 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 64.1 111.172 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.16 -45.85 46.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.485 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 6.1 m-85 -71.37 -73.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 62.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -168.09 96.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -60.07 -171.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 64.1 111.109 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -93.96 -31.32 14.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.899 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -165.38 170.93 40.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 53.2 112.512 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -62.01 -52.18 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 64.1 110.938 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -61.22 -31.61 71.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 54.2 110.925 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.73 -40.67 76.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 72.3 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.548 ' HE2' ' HB3' ' A' ' 52' ' ' ALA . 62.8 mttt -60.41 -49.57 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.916 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -60.33 -33.01 71.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.2 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.5 t -65.77 -42.6 90.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 64.1 110.895 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.407 HD12 HG22 ' A' ' 48' ' ' VAL . 25.5 mt -72.31 -34.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 75.3 111.037 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -59.68 -49.11 79.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 71.3 110.867 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.81 -31.03 70.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.064 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -76.12 -43.22 44.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.4 110.912 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.28 -30.92 69.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 65.1 110.923 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.9 t -82.66 -31.57 28.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.3 110.842 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -72.33 -48.35 42.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 73.4 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -67.43 -37.67 83.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.27 -44.44 95.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 70.1 110.948 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -62.95 -37.07 85.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 65.1 110.921 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -68.02 -43.75 78.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.932 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.514 ' HB2' ' CB ' ' A' ' 37' ' ' TYR . . . -76.1 -31.18 58.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.0 111.131 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.92 -47.21 87.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.1 110.901 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -73.81 -37.14 65.01 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.179 -0.464 . . . . 73.3 111.109 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.415 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.35 -51.99 67.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.188 -0.46 . . . . 74.4 110.922 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.7 ptmt -67.85 -27.67 66.9 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 73.2 110.619 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.45 -57.2 12.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.716 0.293 . . . . 75.1 111.142 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 6.2 p90 -67.28 -36.24 81.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.165 -0.471 . . . . 70.2 110.728 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 69.6 mt -62.75 -40.92 98.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.254 -0.43 . . . . 61.4 110.945 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -75.96 -32.22 59.4 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.919 -0.582 . . . . 73.5 110.976 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--O 1.239 0.501 0 CA-C-N 115.851 -0.613 . . . . 74.3 110.679 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.827 0.346 . . . . 61.2 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -66.95 -43.67 82.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 74.1 110.927 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -59.46 -38.99 82.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 63.1 110.91 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.643 ' HD3' HD11 ' A' ' 17' ' ' LEU . 1.8 tttp -73.93 -31.64 63.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 74.4 110.889 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.514 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -64.46 -37.41 87.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 42.0 111.106 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.6 mt -76.6 -32.36 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 72.1 111.111 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -72.57 -44.75 61.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.643 HD11 ' HD3' ' A' ' 13' ' ' LYS . 5.4 mt -63.34 -45.7 90.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.895 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -45.74 91.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 54.3 111.092 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.7 m -60.3 -43.43 96.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 62.3 110.912 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -73.67 -31.61 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 71.3 110.922 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . . . -70.01 -47.44 62.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 74.2 111.148 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.88 84.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 73.3 111.058 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.06 -32.01 69.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 51.3 110.673 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -68.24 -52.46 33.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.421 -0.354 . . . . 75.2 110.91 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -60.71 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.27 -32.08 70.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.163 0.506 . . . . 73.5 111.005 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.77 43.91 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.995 -0.548 . . . . 72.3 111.004 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.16 -28.71 0.58 Allowed Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.738 -0.744 . . . . 43.2 112.573 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -73.81 112.16 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 73.1 110.927 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -99.95 -41.62 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.1 110.939 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -56.84 16.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.206 -0.452 . . . . 72.1 110.764 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.87 -34.6 74.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 74.0 110.833 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.23 76.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 72.4 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 76' ' ' LYS . 36.7 tp -60.35 -52.31 65.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.915 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.78 -33.8 73.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 64.3 110.85 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.547 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 27.1 mt -72.29 -39.83 68.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 54.3 110.896 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.9 m-85 -60.31 -46.92 88.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.897 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -61.24 -39.33 89.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.424 ' HB3' HD13 ' A' ' 17' ' ' LEU . 7.9 m170 -60.89 -46.76 89.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.845 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HB1' ' CE2' ' A' ' 44' ' ' PHE . . . -59.91 -42.52 94.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 61.2 111.115 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.4 t -64.15 -32.87 59.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 62.5 111.082 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -67.84 -48.56 65.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 72.2 110.869 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 47' ' ' VAL . 69.7 m-85 -73.3 -37.03 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.915 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' HG23 ' A' ' 48' ' ' VAL . 4.6 m-85 -60.38 -46.89 88.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.914 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.72 -31.65 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.5 110.885 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.496 ' CE1' ' CE1' ' A' ' 50' ' ' TYR . 70.3 t60 -60.49 -36.46 78.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 61.3 110.871 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.6 t -74.98 -44.8 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 73.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.77 HG22 HD12 ' A' ' 61' ' ' ILE . 27.8 t -65.53 -36.17 76.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 64.0 111.085 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -74.72 -37.62 62.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 61.5 110.904 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' A' ' 46' ' ' HIS . 7.9 m-85 -80.91 -67.68 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 70.2 110.917 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -171.96 99.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 72.3 110.922 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HA ' HG12 ' A' ' 47' ' ' VAL . . . -74.77 -176.28 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 72.1 111.106 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -72.17 -46.32 56.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 73.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.596 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -170.81 -161.64 21.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.739 -0.743 . . . . 74.3 112.504 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.43 -56.93 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.776 0.322 . . . . 62.5 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -60.36 -31.6 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.882 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.596 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -64.48 -45.67 86.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 71.5 111.091 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -60.24 -43.37 96.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.864 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -61.58 -32.99 73.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.1 110.932 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.84 -40.09 83.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 54.4 110.867 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.77 HD12 HG22 ' A' ' 48' ' ' VAL . 38.4 mt -73.91 -33.97 38.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 73.2 111.128 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -60.26 -45.73 92.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 73.2 110.889 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.434 ' O ' HG22 ' A' ' 66' ' ' THR . . . -69.14 -35.11 76.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 71.2 111.059 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -73.96 -43.38 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 72.1 110.914 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.7 m -60.08 -31.36 69.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 64.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.434 HG22 ' O ' ' A' ' 63' ' ' ALA . 8.9 t -84.58 -31.6 24.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.919 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -70.04 -48.13 59.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 70.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.0 -42.98 75.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 74.5 110.894 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD11 HG11 ' A' ' 41' ' ' VAL . 16.5 mt -60.32 -31.92 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 70.5 110.92 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -67.49 -50.13 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.4 110.892 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mmm-85 -64.73 -50.77 65.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -60.0 -38.2 81.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 62.4 111.097 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.58 -48.57 81.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 64.5 110.949 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.36 -35.03 68.41 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.189 -0.459 . . . . 65.3 111.125 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.402 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.33 -52.06 67.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.211 -0.45 . . . . 54.4 110.869 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.513 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.3 ptmm? -67.73 -27.73 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 75.4 110.693 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 -57.09 12.79 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 120.859 0.362 . . . . 61.2 111.103 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.457 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.2 p90 -67.22 -36.07 80.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.92 0.391 . . . . 71.2 111.024 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 70.4 mt -62.89 -32.68 73.99 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.308 -0.406 . . . . 73.3 110.919 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -86.22 -31.44 21.71 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 115.806 -0.634 . . . . 75.4 111.144 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.9 -0.591 . . . . 74.5 110.67 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 74.3 110.886 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.4 tp -72.95 -37.89 66.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 65.2 110.853 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.25 -33.73 72.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 75.4 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -74.8 -39.76 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.1 110.912 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . . . -60.4 -39.19 86.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.12 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -77.52 -36.33 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 71.2 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -60.5 -40.0 89.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.893 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 39' ' ' HIS . 5.6 mt -73.98 -38.5 64.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 75.1 110.921 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.504 ' HB1' ' CZ ' ' A' ' 68' ' ' TYR . . . -60.28 -38.35 83.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.1 111.139 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -74.19 -48.14 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.1 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 mtpt -65.24 -45.32 85.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 73.0 111.063 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.547 ' HB1' ' CE1' ' A' ' 37' ' ' TYR . . . -59.94 -47.25 86.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.08 -0.509 . . . . 72.3 111.102 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -33.07 71.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 74.4 111.074 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -79.11 -32.39 44.56 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.168 -0.469 . . . . 62.4 111.068 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -66.17 -52.64 46.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.19 -0.459 . . . . 65.4 110.915 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.94 -45.08 96.12 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.884 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -65.48 -31.97 73.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.1 110.787 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.85 46.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.159 0.504 . . . . 61.2 111.292 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 159.79 -30.63 0.4 Allowed Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.387 -0.911 . . . . 52.3 112.283 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -73.99 113.81 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.673 -0.31 . . . . 74.3 111.22 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' HD2' ' HH ' ' A' ' 78' ' ' TYR . 3.4 m-85 -101.42 -41.37 6.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.819 0.342 . . . . 74.5 110.941 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -61.68 -52.91 62.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.235 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.65 -40.54 95.29 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 116.404 -0.362 . . . . 53.5 110.92 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' A' ' 36' ' ' LEU . . . -64.15 -36.18 83.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 72.5 111.105 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 76' ' ' LYS . 62.8 tp -60.34 -48.74 80.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 62.5 110.865 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -62.07 -33.02 73.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 52.3 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.646 HD12 ' HA ' ' A' ' 33' ' ' ALA . 9.9 mt -74.88 -39.35 61.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 63.3 110.901 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.667 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.6 m-85 -60.37 -35.57 76.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -71.05 -44.86 64.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.892 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.675 ' HB3' HD13 ' A' ' 17' ' ' LEU . 13.7 m170 -60.32 -41.8 94.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 61.3 110.894 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 44' ' ' PHE . . . -59.95 -44.12 94.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 55.0 111.072 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 37' ' ' TYR . 27.3 t -68.3 -33.67 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 74.2 111.076 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -66.74 -47.21 72.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 61.3 110.887 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.657 ' O ' HG23 ' A' ' 47' ' ' VAL . 60.4 m-85 -70.43 -37.56 74.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 75.2 110.9 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' CG ' ' HB1' ' A' ' 14' ' ' ALA . 5.2 m-85 -63.39 -55.06 27.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.3 110.877 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.8 mt -61.29 -31.94 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.931 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 50' ' ' TYR . 37.7 t60 -62.63 -35.4 79.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 75.5 110.934 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 43' ' ' TYR . 27.7 t -75.36 -46.3 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 71.4 111.026 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.611 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 21.5 t -66.53 -36.18 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 52.4 111.087 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -72.08 -44.87 62.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 73.5 110.899 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 46' ' ' HIS . 5.2 m-85 -73.41 -69.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 63.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -169.22 94.26 0.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 62.4 110.914 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -70.19 178.46 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 44.5 111.131 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -69.76 -67.23 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.926 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 57' ' ' ALA . . . -142.7 -176.61 16.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 72.2 112.466 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -60.9 -51.3 69.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.807 0.337 . . . . 75.1 110.877 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -60.61 -31.57 70.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 74.3 110.885 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB3' ' H ' ' A' ' 54' ' ' GLY . . . -66.07 -42.66 89.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 73.3 111.098 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -60.47 -47.94 83.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 72.2 110.94 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -36.86 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.4 110.864 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 t -65.07 -45.59 84.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.932 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.9 mt -69.22 -33.97 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 75.2 111.057 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -58.82 -40.22 83.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 74.2 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.72 -31.32 61.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 73.1 111.043 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -75.16 -42.73 55.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 75.4 110.889 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.93 -34.6 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 50.4 110.891 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.8 t -81.77 -31.5 31.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 55.3 110.903 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -71.43 -48.03 52.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 64.2 110.897 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' ' HB1' ' A' ' 18' ' ' ALA . 28.4 m-85 -68.09 -37.61 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 73.3 110.927 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -60.29 -41.73 93.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.5 110.887 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -64.06 -41.07 97.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.4 110.931 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -68.0 -39.15 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 65.4 110.876 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 34' ' ' LEU . . . -76.85 -34.13 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.4 111.103 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.29 -45.62 92.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 75.5 110.925 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -71.29 -38.32 71.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 72.2 111.118 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -58.8 -51.87 68.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 71.4 110.824 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.58 -28.2 67.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 73.4 110.901 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -53.85 -57.15 11.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.031 -0.532 . . . . 74.5 111.329 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.455 ' CE1' ' CD2' ' A' ' 79' ' ' LEU . 5.8 p90 -67.94 -34.56 76.81 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.0 0.428 . . . . 64.1 110.681 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 78' ' ' TYR . 68.2 mt -65.7 -34.96 79.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.827 0.346 . . . . 73.5 110.929 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.7 mptt -78.63 -33.62 47.17 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.871 -0.604 . . . . 71.3 111.175 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.966 -0.561 . . . . 64.3 111.048 179.736 . . . . . . . . 0 0 . 1 stop_ save_