data_2m5e_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 2m5e _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 ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.01 -37.97 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.772 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -90.88 -48.0 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.9 mt -53.59 -29.0 35.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.2 tt -74.93 -30.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.02 -32.92 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.97 71.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.053 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -55.66 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -28.91 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.49 -33.45 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -76.49 92.88 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -72.19 -35.12 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -72.69 -20.28 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.14 28.38 72.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.536 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -96.22 -22.03 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.1 9.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.5 mt -146.81 129.95 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -103.99 123.24 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.02 -176.86 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.69 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.85 -28.29 36.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.04 -43.84 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.43 -50.69 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -30.4 68.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.24 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.8 -38.39 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.64 -36.25 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.3 m -64.5 -49.22 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.5 -39.11 88.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.71 -21.1 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.58 48.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -147.13 119.16 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -88.4 125.17 34.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -138.44 137.75 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 166.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -31.34 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.98 -41.97 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.24 -40.14 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.02 -49.17 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.96 -30.13 58.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.61 -29.59 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.8 mtp -78.95 -32.04 45.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.26 -45.19 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -41.31 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.84 -30.17 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.78 14.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 104.65 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.97 -29.26 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.89 -20.25 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.59 40.45 38.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -109.03 -20.51 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.24 30.81 7.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.27 141.95 23.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.32 117.72 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 -169.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -65.95 -49.91 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.85 -32.72 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -80.65 -32.33 36.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.6 -49.45 76.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.75 -40.47 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.32 -48.92 79.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.08 -38.26 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -31.45 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 15.0 t -97.94 29.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 34.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 41.1 m -60.35 -32.04 70.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.24 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.994 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.59 -37.69 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -36.95 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.6 mt -84.15 -38.22 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -45.66 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.733 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.39 81.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.33 -32.17 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.48 -43.62 96.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -65.32 -39.36 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.66 -37.02 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.728 0.299 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.61 -25.57 15.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.716 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.51 -47.56 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.424 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.7 -33.03 71.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.4 tt -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.28 -38.2 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.27 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.53 -41.77 95.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.75 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.769 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.63 -37.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -46.05 78.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.29 81.49 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -68.49 -22.67 64.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -69.22 -20.25 63.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.95 33.78 86.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -109.16 -21.92 12.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.86 -28.61 10.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mp -107.91 131.76 54.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mt -98.79 122.51 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.1 p -89.01 -178.93 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.53 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.33 -35.43 77.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.75 -39.75 95.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.74 -37.77 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.18 -34.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.24 -35.18 80.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -70.63 -33.43 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -39.82 49.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.38 -21.09 66.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.44 42.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -134.13 134.32 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -117.46 114.1 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.94 147.9 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 p -69.07 178.52 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.4 -47.19 77.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.22 -36.53 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.86 -35.41 78.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.5 t -71.87 -48.34 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.86 -34.64 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.69 -32.98 74.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 mtm -73.8 -32.45 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.08 -44.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -32.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.74 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.52 30.9 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.67 102.94 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.34 -52.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -82.79 -20.15 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.37 36.04 69.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -89.69 -20.28 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.48 30.24 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -152.0 179.99 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 22.8 mt -135.93 107.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.29 -176.17 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.63 -46.79 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.83 -30.92 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -69.99 -32.97 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.1 -32.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -82.33 -32.7 29.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.7 ttm -65.1 -45.25 85.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.8 tpp -80.09 -45.17 18.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.36 39.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.849 0.356 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.2 m -80.24 -21.76 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -86.11 -38.73 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.239 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.87 -38.81 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -58.55 -43.87 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.2 mt -60.51 -35.97 66.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.75 -34.56 64.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.84 -30.92 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.51 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 8.3 t80 -70.86 -31.05 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -59.75 -30.62 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.987 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -81.41 -31.54 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.49 -34.55 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -96.53 -21.29 17.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.304 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -86.81 -51.85 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.34 -41.07 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 tt -59.29 -37.87 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.26 -43.27 74.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.4 -29.96 61.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.39 -36.62 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -70.75 -36.47 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -40.7 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -70.61 -44.56 67.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 86.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -72.55 -30.95 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.49 -20.23 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.4 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -109.59 -21.93 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.641 0.257 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.03 30.83 7.64 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -145.21 129.9 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.45 120.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -93.81 171.57 8.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.3 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.81 -27.69 33.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.19 -30.56 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.51 -55.01 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.85 -29.77 67.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -39.13 86.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.04 -32.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.39 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.21 -34.78 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -21.15 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -154.15 115.19 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -92.17 136.18 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.29 142.94 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -77.76 166.05 23.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.77 -38.48 78.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.41 -31.32 57.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.24 -33.47 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.8 t -86.47 -37.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -60.27 -31.38 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.7 -37.46 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 mtm -65.74 -35.63 81.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.7 mt -71.01 -33.66 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -31.46 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.38 -31.22 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.58 -39.99 13.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.96 114.0 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 mt -90.04 -37.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.86 -20.2 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.63 34.33 72.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.564 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -85.98 -20.35 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.33 28.63 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -155.66 139.08 15.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . 0.403 HD12 HG22 ' A' ' 136' ' ' ILE . 30.5 mt -83.17 122.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.08 174.77 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -63.76 -54.14 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -31.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -36.05 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -69.03 -30.61 69.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.92 -31.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -45.99 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.28 -48.98 77.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -39.78 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.41 32.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -31.02 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.89 69.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.33 -30.39 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.96 -37.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.452 HG23 HD12 ' B' 1912 ' ' ILE . 28.4 mm -83.49 -31.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.67 -30.82 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -79.07 -30.71 44.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.45 73.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -70.47 -29.19 65.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -46.68 85.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -29.68 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.0 -56.88 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.719 0.295 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.37 -27.66 14.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.319 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -90.18 -55.4 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.219 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -58.45 -30.97 67.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.7 tt -57.91 -38.87 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.9 -40.17 61.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.77 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 26.2 t80 -64.09 -39.79 94.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.12 77.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.36 -33.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -34.07 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.0 83.46 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -65.48 -26.62 68.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -69.38 -20.26 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 32.41 80.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -105.03 -21.96 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.298 . . . . 0.0 111.159 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 -26.93 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.45 140.11 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.1 mt -116.84 122.9 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 p -88.81 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.97 56.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.04 -33.21 63.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.68 -52.45 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.72 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -36.16 78.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.34 -33.62 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.0 -44.84 87.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -61.91 -35.04 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -38.88 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 32.51 2.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.74 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -96.79 115.2 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.66 156.0 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -96.06 168.37 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -44.63 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -32.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -52.74 48.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.65 -44.33 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.58 -39.27 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.06 -30.1 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -31.76 52.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.9 mm -68.45 -37.4 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.59 -37.73 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.12 -31.49 71.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.88 -31.02 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 102.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.8 mt -86.98 -30.88 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.37 -20.23 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.74 40.53 45.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.48 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -97.16 -20.43 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.23 28.15 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -147.58 179.71 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 32.8 mt -137.12 118.74 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.1 177.53 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.412 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 34.0 t80 -61.49 -39.97 92.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.83 -36.18 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.34 -31.43 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.8 -32.12 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.4 t -74.98 -33.2 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -50.32 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.6 ttp -58.65 -39.49 80.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.3 tpp -60.97 -55.38 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.56 39.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 17.7 p -87.33 -4.89 59.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.475 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -79.88 -27.41 40.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.376 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 25.4 mm -87.55 -40.11 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -56.27 -30.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 21.9 mt -78.34 -47.09 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.204 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.94 -33.96 76.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -30.68 71.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.36 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 11.3 t80 -78.07 -28.38 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.05 86.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -73.12 -33.54 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 77.8 t80 -58.73 -30.0 67.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 15.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.985 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -96.55 -27.08 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.62 -55.78 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.09 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.4 mt -57.75 -39.01 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.049 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.1 tt -59.62 -40.31 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' B' 1916 ' ' TYR . . . -64.94 -32.73 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 1.5 t80 -60.03 -32.41 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -34.84 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.72 -34.99 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CE2' HG23 ' A' ' 108' ' ' VAL . 5.1 m-85 -69.86 -35.89 75.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 92.88 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.07 -36.34 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -94.2 -20.23 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.45 46.85 66.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -93.53 -21.81 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -26.49 9.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.52 139.79 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.46 144.6 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.37 -171.82 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.56 -32.78 36.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.14 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.68 -31.51 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -83.19 -27.13 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -29.7 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 92' ' ' PHE . 17.9 m -87.16 -28.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -36.42 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -66.14 -34.1 77.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -37.45 37.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -21.05 66.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.79 43.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.92 150.19 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -113.46 116.83 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.32 140.03 52.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -85.35 168.42 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.94 -40.89 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.7 -39.86 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.72 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.4 t -69.53 -47.79 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.98 -31.13 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -30.41 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -36.26 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.73 -36.38 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.86 -47.21 87.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.16 -37.01 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.47 43.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.32 102.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.428 HD13 HG23 ' A' ' 130' ' ' ILE . 35.5 mt -88.47 -30.63 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -87.39 -20.19 27.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.55 21.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.46 -20.41 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.05 -15.34 33.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.795 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -109.81 158.59 17.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.3 mt -108.92 139.67 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.29 173.22 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 30.7 t80 -59.89 -40.65 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.1 -43.29 87.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.12 -34.21 77.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.26 -30.56 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.02 -31.88 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.02 -39.69 72.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.54 -56.64 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -64.43 -48.82 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -96.97 38.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.4 m -78.89 -23.88 44.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.05 -32.85 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 27.5 pt -76.98 -38.56 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.384 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 19.3 m -58.87 -40.79 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 31.6 mm -77.2 -31.71 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -74.08 -48.42 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.86 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.412 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 3.9 t80 -66.04 -29.61 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -31.17 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -78.44 -35.48 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.72 -32.81 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -96.49 -22.18 17.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.572 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -85.36 -51.1 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.267 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -38.08 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.374 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.1 tt -58.32 -42.83 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.55 -45.69 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.38 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -59.68 -40.32 87.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -41.36 78.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.35 -34.04 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.34 -53.79 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -71.48 83.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -69.34 -20.26 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.52 35.14 78.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.59 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -106.37 -22.02 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.86 -28.26 8.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.57 129.93 55.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.34 119.78 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.9 p -85.58 -174.62 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.3 -38.73 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -33.05 74.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.95 -36.08 79.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.69 -45.78 81.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.48 -31.21 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.71 -42.54 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.9 m -65.06 -42.19 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -37.57 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -21.07 65.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.19 41.23 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -144.55 135.26 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -114.94 127.47 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -149.98 142.85 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -69.43 174.73 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.33 -37.7 78.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.16 -36.99 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.1 t -71.95 -48.49 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -30.13 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.29 -34.88 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.2 mtm -73.54 -42.18 62.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.6 mm -64.08 -42.55 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -49.19 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.99 -36.26 80.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.83 -35.81 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.79 101.89 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -87.91 -28.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -92.26 13.44 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.14 25.24 17.48 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.679 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.73 -20.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.599 0.237 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.33 -13.66 64.58 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.801 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -112.31 155.28 24.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.889 0.376 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.2 mt -96.58 105.05 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.96 -177.59 5.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.13 -44.62 91.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -38.6 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.54 -30.72 68.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.99 -30.6 65.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.45 -37.08 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -77.73 -34.92 52.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.2 ttm -64.4 -61.66 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 11.9 tpp -63.61 -46.5 85.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.04 39.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -73.16 -24.85 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.89 -34.03 21.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 111.251 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.46 -44.64 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.2 p -58.69 -43.08 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.6 mt -60.1 -46.74 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.55 -44.62 81.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.63 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -74.03 -29.12 61.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -58.32 -30.27 66.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -32.63 26.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.1 t80 -62.25 -31.23 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.766 0.317 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.39 -22.8 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.422 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.6 -56.04 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 111.059 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.55 -40.21 82.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 tt -59.94 -34.99 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -76.73 -46.62 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.46 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -45.1 96.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -62.67 -34.45 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.62 -36.79 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.8 -48.41 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -65.69 86.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -70.23 -31.61 69.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -75.15 -20.2 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.43 95.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -109.55 -21.88 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 -10.89 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 11.1 mt -114.22 134.05 55.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mt -107.75 117.64 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 168.08 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.64 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.44 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 33.2 mt-10 -85.75 -22.5 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.23 -11.52 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.664 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -89.84 -32.99 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.248 . . . . 0.0 111.353 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 2.9 p-80 -75.53 -30.67 59.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.816 0.341 . . . . 0.0 111.062 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.449 ' N ' ' CD2' ' A' ' 107' ' ' HIS . 19.5 m -75.0 -34.42 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -30.98 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.7 m -68.71 -36.81 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.5 -39.38 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.77 -21.15 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.05 50.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.93 162.92 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 121.45 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.0 146.05 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 172.92 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -43.97 91.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.1 -40.79 95.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -34.44 76.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.08 -46.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -29.99 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -29.92 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtm -79.34 -39.34 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 125' ' ' ILE . 35.6 mm -68.26 -39.84 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -64.59 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.03 -30.83 58.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.19 -39.18 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.1 108.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.98 -32.03 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -73.47 -20.2 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 43.82 63.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -109.0 -20.27 13.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.278 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.48 -25.07 14.15 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 38.4 m80 -109.86 137.02 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.35 125.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.42 -170.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.39 -31.35 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.25 -31.92 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.16 -31.08 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.9 -51.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.42 -30.74 68.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -75.38 -41.78 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -51.5 53.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.1 m -98.42 33.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -60.35 -34.87 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -68.42 -36.13 78.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.45 -37.84 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -56.6 -29.66 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.285 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.8 mm -88.7 -29.3 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -81.23 -32.91 33.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -41.67 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.55 76.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.07 -30.32 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -37.76 77.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -69.9 -31.02 68.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.77 -35.56 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.807 0.337 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -85.68 -20.13 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.505 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -86.2 -48.01 8.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.184 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -70.0 -39.28 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.219 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -56.89 -35.45 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.25 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -74.14 -30.87 62.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.13 -30.31 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 100' ' ' ILE . 11.9 t80 -59.95 -39.72 86.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -63.24 -43.63 97.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -46.82 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.23 -42.37 93.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.95 92.92 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -69.14 -42.34 76.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -84.65 -20.17 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.22 33.2 84.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.563 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -79.7 -21.94 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.14 24.91 6.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mp -161.15 162.47 31.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 89' ' ' PHE . 31.7 mt -126.47 107.47 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.7 p -85.14 175.11 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.52 94.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.22 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.13 -34.11 43.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.43 -48.04 52.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -61.88 -32.95 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -39.03 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.26 -33.65 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.38 -36.67 83.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.7 m -64.01 -41.7 97.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.3 -31.96 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -21.04 65.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.42 37.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 118.72 10.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 122.11 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -141.26 121.42 13.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.55 179.99 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.4 -21.91 57.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -42.71 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.16 -32.89 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.01 -37.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -35.15 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -30.83 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 mtm -77.49 -42.93 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.96 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -61.47 -36.75 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -30.62 71.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.63 -28.51 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 91.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.4 mt -78.04 -30.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -84.18 -20.28 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.57 45.92 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.18 -20.37 12.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.58 28.56 8.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -149.77 140.39 22.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.6 mt -94.87 126.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.63 169.23 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.28 -33.54 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.54 -31.5 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.56 -38.13 34.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.96 -31.46 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.51 -51.36 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -60.16 -34.42 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -49.96 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.4 tpt -62.58 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 30.2 m -98.33 32.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 58.8 m -87.04 -28.25 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.05 -35.31 61.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.23 -32.91 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 37.4 t -67.46 -44.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.056 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.6 -35.59 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -33.37 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -69.45 -43.31 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.49 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 10.1 t80 -66.76 -29.49 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.13 -34.97 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.14 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.24 -39.01 85.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.789 0.328 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.79 -34.39 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.792 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.07 -50.46 5.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.05 -33.92 54.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 tt -59.55 -31.74 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -68.57 -35.85 77.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.77 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.24 -40.27 96.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -67.48 -35.94 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 t -69.18 -32.6 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -79.84 -31.04 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.36 92.95 8.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -74.78 -37.11 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -69.48 -20.22 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.48 33.76 82.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.427 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -100.78 -21.91 15.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.5 26.63 5.3 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.573 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.6 mt -161.28 130.35 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -99.14 131.79 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -170.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.34 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.26 72.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.85 -52.23 52.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.4 -44.04 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -36.71 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -44.79 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.4 t -67.78 -36.56 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.77 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 m -71.57 -40.0 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.8 -43.12 66.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.69 -21.03 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.58 34.36 2.88 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.71 152.74 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 141.41 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -144.89 149.98 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -78.4 168.83 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.78 -37.68 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.73 -31.25 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -37.34 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.84 -41.83 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.69 -30.28 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -40.0 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 ttm -61.62 -44.46 96.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.71 -39.17 77.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.64 -27.88 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.01 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 -30.74 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.294 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 103.65 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.31 -20.27 34.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.74 54.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -92.01 -20.38 21.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.36 -24.48 25.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -109.83 143.3 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.8 131.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.5 175.7 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -59.94 -55.2 37.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.12 -40.21 80.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.12 -41.71 93.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -60.01 -31.86 70.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.89 -35.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -66.56 -37.02 84.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.8 ttm -61.45 -49.18 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -48.87 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 12.6 t -100.57 34.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 75.0 m -86.89 -22.7 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.01 -28.93 22.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -30.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 26.6 m -74.98 -29.47 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.7 mt -85.57 -31.0 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.69 -35.19 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -68.08 -31.83 71.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.02 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.1 t80 -80.19 -30.66 38.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.6 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -76.46 -33.13 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.82 -34.3 73.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.739 0.305 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.61 -34.48 62.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.27 -50.72 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.01 -33.56 52.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.82 -31.67 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -72.4 -31.12 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.96 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 100' ' ' ILE . 50.0 t80 -69.52 -31.43 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -53.73 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 -25.68 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -75.65 -36.22 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.04 89.45 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.02 -36.82 69.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.52 -20.17 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.59 36.26 91.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -107.7 -21.97 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.701 0.286 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.56 -22.02 13.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.611 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.0 mt -106.37 147.2 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 89' ' ' PHE . 30.3 mt -122.48 109.71 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.76 176.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.26 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.37 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.41 -45.44 17.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.41 -47.39 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -29.69 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -76.64 -33.12 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.84 -47.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.1 -29.27 65.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 m -62.99 -65.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -60.23 -30.19 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -21.06 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 31.52 4.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.5 114.48 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.73 118.76 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -126.93 137.61 53.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -77.87 167.92 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.32 -40.07 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.03 -34.77 57.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.2 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.33 -43.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -29.14 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -30.01 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.5 mtp -72.07 -40.62 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.0 mm -64.12 -42.46 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.02 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.58 -30.38 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.86 -27.95 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.265 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 105.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 mt -87.87 -30.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -88.79 -20.33 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 45.33 58.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -110.28 -20.38 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.658 0.266 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.85 32.92 4.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -156.83 145.38 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.85 115.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.94 172.07 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -59.52 -32.02 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -25.25 56.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -89.46 -28.41 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -71.67 -30.77 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.07 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.17 -41.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -65.96 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.64 -32.08 71.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.08 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.39 -31.58 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 45.2 p -73.27 -30.87 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -71.07 -31.19 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -70.17 -30.75 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.4 t -65.33 -42.43 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.433 HG22 HD11 ' B' 1912 ' ' ILE . 24.9 mm -78.33 -31.01 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -75.31 -35.82 61.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -71.8 -39.25 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.63 90.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 28.3 t80 -64.13 -29.95 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -41.82 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -28.22 59.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 39.8 t80 -57.65 -43.02 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.697 0.284 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.76 -34.66 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.11 -50.37 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.26 -33.32 52.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.6 tt -60.63 -31.58 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.18 -31.55 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.87 68.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -36.71 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 m -64.85 -34.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.93 -37.28 81.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.2 92.9 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.27 -54.16 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -74.05 -20.23 60.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.84 60.67 7.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.654 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.87 6.64 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.78 -24.55 27.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.272 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 155.76 41.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -96.31 93.8 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.85 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.73 87.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.13 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tt -74.97 -50.7 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -31.36 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -46.26 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.69 -34.18 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.73 -47.62 85.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 m -64.83 -36.04 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.17 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.27 -21.01 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.33 46.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.81 123.95 10.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -82.92 122.89 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.7 mp -139.4 133.89 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.1 p -92.18 172.81 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.08 -26.12 62.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -36.21 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.97 -31.48 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.627 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.0 p -73.73 -31.24 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -36.74 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mtp -64.57 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.0 mt -81.01 -36.68 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -49.9 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.18 29.05 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.77 101.44 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.85 -37.5 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -96.15 -20.22 18.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.52 81.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.48 -20.44 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.649 0.261 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.44 28.98 4.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -156.27 173.13 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.0 mt -123.03 130.3 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 177.69 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -60.27 -39.68 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.38 -40.82 96.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.45 -36.19 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -38.6 91.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.3 t -70.38 -47.75 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.43 -40.47 91.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.2 -43.27 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mmt -60.33 -36.85 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.59 31.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 -33.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.44 58.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.39 -30.51 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -69.14 -31.53 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.72 -31.17 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -79.4 -36.97 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.49 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.49 -27.81 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -57.41 -47.31 82.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.83 -31.92 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 32.1 t80 -63.02 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.721 0.296 . . . . 0.0 111.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.54 -33.76 75.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.42 -52.37 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.74 -37.94 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.0 tt -57.26 -40.48 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.199 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.95 -37.65 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -51.98 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.39 -36.8 66.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.4 -45.09 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -79.56 84.93 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -64.5 -27.45 68.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.48 -20.13 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.63 35.21 90.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.602 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -109.24 -21.93 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.2 -27.47 10.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.453 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.4 129.9 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.13 138.07 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.03 177.34 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.34 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.13 65.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -77.43 -30.75 53.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.68 -48.0 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -30.4 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -35.26 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.2 p -87.69 -31.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -43.27 93.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -62.72 -41.25 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.82 -41.82 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.1 -21.04 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.0 49.99 0.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -153.05 121.59 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 117.6 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.85 150.85 47.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.2 p -84.28 166.4 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -42.44 85.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.6 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.9 t -69.07 -47.54 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.69 -36.73 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.96 -29.09 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.38 -35.79 46.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.57 -40.72 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -71.2 -36.64 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.58 -30.5 65.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.03 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.11 86.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.15 -21.64 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.302 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -20.25 65.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.76 92.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -110.81 -19.32 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 111.211 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.62 -25.97 12.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -110.0 133.03 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 14.6 mt -82.02 137.0 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -171.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -75.44 -33.44 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -31.23 49.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.97 -33.8 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.66 -44.44 96.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.47 -31.0 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -31.02 70.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.5 ttp -78.45 -35.7 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.56 75.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.64 -25.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.258 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -63.16 -36.65 84.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.66 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.249 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.4 mm -65.72 -36.74 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 22.5 t -58.43 -32.68 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.81 -37.5 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -75.63 -31.41 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.99 -42.68 80.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.91 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.93 -30.71 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.18 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -32.05 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -68.22 -44.98 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.783 0.325 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.69 -32.52 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.39 -45.42 9.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.31 -30.94 63.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.1 tt -59.14 -32.12 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.22 -36.84 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.46 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -65.83 -31.36 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -72.13 -38.88 69.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.08 -44.77 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.2 -32.28 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.97 92.8 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -42.01 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -70.56 -20.28 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.97 38.6 96.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.565 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -103.97 -21.87 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.671 0.272 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.72 8.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -108.18 132.58 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.0 mt -99.72 136.56 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.16 178.67 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.53 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.92 -30.86 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -74.52 -42.54 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -33.81 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -78.63 -30.81 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -70.16 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.74 -33.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mtt -65.25 -46.99 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.3 m -61.36 -37.02 81.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.44 -40.24 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.02 -20.99 65.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.03 47.2 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.0 105.71 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 127.07 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.75 140.23 34.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.2 p -78.52 168.13 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.78 -45.63 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.96 93.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.02 -44.38 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.61 -49.41 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -31.22 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.01 -31.97 69.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.6 mtp -76.88 -33.18 57.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -72.24 -47.98 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -56.99 -39.24 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.88 -30.94 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.64 30.82 6.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.05 93.26 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.19 -30.96 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -88.89 -20.24 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.03 44.72 90.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -110.41 -20.33 12.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.34 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.804 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -109.97 164.73 12.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.95 122.84 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -97.56 167.32 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -58.24 -39.41 79.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.38 -33.74 75.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.01 -32.45 61.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.71 -40.37 95.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.48 -46.08 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -32.89 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.0 ttm -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -43.36 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.69 30.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -83.3 -23.42 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.38 -28.3 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.69 -30.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.348 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 30.0 m -68.96 -37.07 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.28 -42.51 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.48 -36.49 84.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.94 -36.48 84.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 6.6 t80 -73.86 -30.0 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -48.92 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -59.48 -33.84 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 -55.21 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.701 0.286 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -74.91 -33.78 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.51 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.744 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.67 -35.4 55.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.29 -44.22 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -61.09 -32.14 71.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.41 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -65.32 -31.06 72.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -53.05 16.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 m -63.96 -31.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.06 -46.24 65.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.34 91.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -69.94 -33.29 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.01 -20.25 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.81 36.99 93.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -109.71 -21.84 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.53 -19.68 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.716 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.34 139.97 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.08 129.72 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 p -101.33 -177.66 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.0 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.91 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.98 -55.03 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -35.94 82.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -35.21 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -40.3 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.16 -32.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.9 -40.93 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.9 m -64.66 -36.83 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -70.81 -39.47 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.14 -21.01 66.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.583 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 109.94 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 112.68 19.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.87 149.9 32.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.02 169.71 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.36 -39.2 93.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -75.36 -34.97 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.36 -51.57 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.09 -46.7 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -59.48 -30.87 68.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -75.51 -36.76 60.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.9 mtm -67.97 -31.16 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.72 -37.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -33.09 66.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -78.68 -29.81 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.3 31.17 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.29 93.17 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.5 mt -77.92 -34.6 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -82.43 -20.25 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.17 74.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -90.48 -20.42 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.71 28.35 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -156.0 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -95.34 124.08 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -99.38 174.25 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 62.1 t80 -60.21 -39.56 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.62 -35.77 75.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.49 -36.37 57.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.15 -32.03 70.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 30.8 t -73.53 -32.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -73.4 -37.38 65.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -72.2 -38.88 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.44 -31.35 72.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.44 -34.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -81.66 -26.48 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -84.97 -33.91 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.411 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.04 -38.89 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.395 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 3.4 m -62.29 -37.8 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.156 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1912 ' ' ILE . . . . . 0.406 HD13 HG22 ' B' 1912 ' ' ILE . 41.2 mt -77.38 -30.44 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -34.75 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -74.83 -46.79 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.68 69.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.446 ' CZ ' ' CD1' ' B' 1920 ' ' LEU . 31.3 t80 -80.87 -31.32 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.99 -35.75 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 44.5 mtt85 -72.66 -38.11 67.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 44.0 t80 -60.51 -30.98 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1920 ' ' LEU . . . . . 0.446 ' CD1' ' CZ ' ' B' 1916 ' ' TYR . 8.2 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.019 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -96.47 -20.33 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.346 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -86.58 -36.12 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.06 -32.62 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.02 -44.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.202 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -69.78 -34.0 73.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.803 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.74 -27.05 44.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -74.68 -30.18 61.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -80.59 -39.12 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.85 -30.47 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -60.07 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -64.88 93.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -42.13 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -69.4 -20.24 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.212 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 47.19 92.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -86.32 -11.37 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -27.01 9.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.59 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.1 179.94 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.75 98.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 p -78.23 -168.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.75 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.79 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.19 -40.48 94.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.59 -31.06 70.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -30.58 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -40.89 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.6 m -78.63 -29.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 mmt -69.0 -33.5 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 t -75.14 -31.0 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.6 -35.17 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.62 -21.06 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 47.93 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -152.75 119.67 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.29 143.41 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.8 mt -148.85 133.56 17.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -69.85 179.51 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.01 -31.12 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -40.25 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.73 -39.76 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.98 -49.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.13 -32.26 54.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -29.93 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.9 mtp -75.86 -34.69 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 125' ' ' ILE . 34.8 mm -68.64 -46.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -44.37 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.198 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.98 -28.47 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.074 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.58 -27.03 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 72.55 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -60.35 -27.0 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.962 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.67 71.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.236 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.71 -20.49 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.597 0.237 . . . . 0.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.31 -21.52 35.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.865 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -109.73 129.82 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 33.9 mt -76.23 103.61 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.84 -177.46 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.31 -42.31 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -43.89 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.08 -36.19 83.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -63.77 -30.4 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.35 -51.08 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.76 69.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -49.46 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.4 mmt -59.96 -58.3 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.1 37.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.45 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.94 -42.47 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -59.57 -32.73 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.15 -36.28 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -31.5 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -50.58 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.43 -32.44 70.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 9.0 t80 -84.06 -28.41 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -58.4 -38.83 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -77.7 -32.82 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.7 -56.12 25.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.24 -23.13 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.594 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.65 -56.94 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 111.158 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.6 mt -57.77 -39.71 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.247 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.6 tt -57.01 -42.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.222 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.34 -36.43 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.71 -31.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.32 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.42 -45.0 92.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.14 -29.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -50.97 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 76.26 7.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.53 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -69.21 -19.9 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.407 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.19 38.14 22.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.83 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -22.33 18.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.735 0.303 . . . . 0.0 111.158 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 -30.24 8.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.416 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.06 130.98 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.575 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mp -79.67 119.43 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -164.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.73 -26.17 57.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.96 -28.75 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -75.84 -41.34 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.043 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.61 -52.35 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -29.69 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -41.55 88.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.47 -31.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.9 mmm -69.38 -39.7 77.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.1 m -69.71 -37.65 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -41.79 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.76 -21.07 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.93 44.3 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 108.56 4.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 142.03 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -148.31 124.98 11.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -61.82 174.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.04 -32.32 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -43.38 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.11 -46.02 91.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 t -64.67 -50.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -36.73 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.32 -29.09 70.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 mtp -81.96 -34.53 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.91 -41.45 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -65.91 -42.68 89.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.5 -31.22 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.19 -31.55 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.63 103.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.5 mt -88.05 -30.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.14 -20.16 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.49 40.78 26.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 -20.37 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.706 0.288 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.68 32.26 6.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -148.36 145.56 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.24 121.27 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.17 -175.51 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.76 -38.43 89.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -39.3 87.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.49 -31.48 60.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.9 t -76.09 -37.63 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -49.0 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.24 -34.87 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.0 mmt -61.5 -51.92 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 29.2 m -98.08 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.94 -27.65 69.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -83.43 -26.93 29.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.69 -45.98 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.311 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -57.84 -36.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.347 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.91 -50.85 50.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -62.47 -31.09 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.48 81.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.55 -29.44 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -45.24 90.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.55 -30.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.37 -53.53 57.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.706 0.289 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -49.0 -30.53 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.994 0.426 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.77 -38.2 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.7 -24.63 22.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.699 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.05 -42.29 96.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.33 -32.76 68.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.75 -38.34 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.044 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.04 -30.72 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.38 -52.89 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.5 m -60.24 -45.11 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.21 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE2' HG22 ' A' ' 108' ' ' VAL . 5.1 m-85 -59.54 -47.18 86.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.45 92.37 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -75.45 -31.21 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -78.73 -20.11 50.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 41.8 98.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.75 -21.82 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.708 0.289 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -22.23 13.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.64 129.85 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.92 99.53 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.1 p -71.82 176.36 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.94 93.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.81 -31.26 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.1 -31.43 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -31.68 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.42 HG22 ' CE2' ' A' ' 92' ' ' PHE . 23.2 m -84.16 -32.86 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.4 mmt -65.13 -38.8 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -34.04 29.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.92 -21.0 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.17 44.61 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.38 149.91 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 131.57 54.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.09 149.31 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -97.55 170.69 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -39.76 92.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -41.93 68.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.03 -49.21 78.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.75 -48.92 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -38.23 81.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -35.19 73.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.2 mt -73.93 -40.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -34.44 74.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -31.43 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.18 31.29 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.78 99.21 8.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.45 -31.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.38 -20.17 22.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.74 85.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.67 -20.41 12.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.68 39.27 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -149.06 148.75 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.5 mt -111.0 102.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.24 -176.72 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -66.1 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -31.23 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -84.32 -31.51 24.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -63.02 -32.01 73.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.5 t -74.08 -39.4 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -68.02 -44.45 76.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -59.82 -41.65 91.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.25 33.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.6 m -75.79 -27.67 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.84 -47.78 35.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.3 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 pt -57.46 -28.21 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.376 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 25.4 t -62.79 -45.28 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 3.7 mt -71.88 -35.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -43.43 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -42.18 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.88 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 17.4 t80 -70.42 -31.18 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 25.7 t80 -64.05 -43.71 94.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.812 0.339 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.12 -33.51 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.39 -50.55 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.04 -35.17 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 tt -61.17 -34.06 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -67.96 -31.55 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.4 76.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.74 -43.29 94.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.4 58.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.94 -38.96 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.97 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 91.08 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -40.82 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.55 -20.33 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.69 28.11 73.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.81 -21.87 17.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.314 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 24.84 5.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 13.3 mt -146.88 145.12 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.04 112.59 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 t -89.23 -179.63 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.29 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.77 -30.3 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -79.47 -31.36 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.25 -37.45 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -28.53 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -39.34 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.8 m -81.76 -30.37 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mmt -72.04 -43.11 65.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 t -59.94 -36.73 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.71 -39.59 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -20.96 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.13 48.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.82 131.34 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 118.28 36.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 133.55 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.69 172.55 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.0 -45.61 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.14 -42.42 94.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.77 -31.63 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.4 t -74.68 -48.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -30.92 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -36.9 56.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -37.01 84.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.4 mt -73.82 -44.29 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.59 -27.59 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -30.44 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.42 -30.22 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.27 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.64 112.2 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.2 mt -84.73 -29.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.25 -20.29 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.7 28.35 61.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.446 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.48 -20.35 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.725 0.298 . . . . 0.0 111.22 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.64 -24.61 16.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 25.7 m80 -110.47 147.92 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 3.6 mt -91.81 91.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.16 159.74 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -54.57 -32.81 59.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.93 -25.33 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -56.95 -47.99 79.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.16 -39.49 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.04 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 ttm -60.08 -36.3 77.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -33.04 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.96 30.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -32.15 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.49 62.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 14.6 mt -69.88 -39.15 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 24.6 t -59.74 -44.0 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.3 mt -74.06 -32.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -35.42 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -47.44 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.19 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 15.1 t80 -81.37 -30.53 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.13 -35.47 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -31.06 60.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -69.19 -31.18 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.42 -34.06 60.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -50.61 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.52 -29.69 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.2 tt -66.0 -30.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.29 -30.71 62.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.999 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.32 -26.99 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -70.66 -34.45 72.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.48 -44.73 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.33 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -70.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.9 83.71 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -62.33 -29.17 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -69.48 -19.42 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.56 49.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.012 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -22.48 44.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 0.0 111.231 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.46 -12.93 59.58 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.637 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -133.69 130.05 37.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.64 118.8 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 p -95.56 -179.34 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.61 79.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.24 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 9.3 mt-10 -61.31 -64.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -26.19 8.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.269 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -42.1 85.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.215 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 3.3 p-80 -84.28 -28.23 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.458 ' N ' ' CD2' ' A' ' 107' ' ' HIS . 41.4 t -68.58 -34.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.5 mmt -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 m -71.46 -41.27 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -66.0 -42.97 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.32 -20.99 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.4 48.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -158.56 113.85 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -81.29 135.42 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.2 mt -144.47 151.49 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -91.73 165.32 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.23 -32.7 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.29 -37.0 53.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.97 -45.36 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.28 -44.34 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -34.9 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.97 -32.01 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtp -77.28 -35.51 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.9 mt -71.54 -44.68 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -57.93 -42.67 85.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.13 -30.6 71.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -111.2 32.49 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.51 96.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.5 mt -78.48 -33.05 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.06 -20.25 32.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.06 35.1 88.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.427 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -107.79 -20.38 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.77 35.59 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -142.04 155.13 45.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -116.34 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -102.82 176.89 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.1 -35.82 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -32.7 68.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -83.56 -35.27 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.19 -40.73 91.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.72 -36.81 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.65 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -67.11 -39.94 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.11 30.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 34.2 p -69.51 -30.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.78 92.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.62 -32.18 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.8 t -58.51 -50.84 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.56 -36.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.69 -50.63 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -50.18 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.99 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1916 ' ' TYR . . . . . 0.417 ' CE2' HD13 ' B' 1920 ' ' LEU . 9.4 t80 -83.48 -27.98 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -30.97 65.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -83.0 -38.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.71 -34.91 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1920 ' ' LEU . . . . . 0.417 HD13 ' CE2' ' B' 1916 ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.745 0.307 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.91 -34.25 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -90.29 -51.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.813 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 mt -52.5 -33.28 44.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.6 tt -63.01 -31.28 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.97 -32.18 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.46 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -72.69 -30.81 64.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -80.5 -43.84 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.64 -26.35 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.31 -40.55 81.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.09 77.08 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -76.77 -26.35 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.16 31.88 37.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.041 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -83.62 -22.42 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.711 0.291 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.73 -30.15 7.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.77 147.14 52.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -77.56 105.98 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.3 p -81.52 -176.3 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.27 -28.07 61.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.198 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.32 -30.06 48.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.01 -29.97 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -41.36 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.096 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -29.65 42.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.53 -38.65 84.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.08 -30.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.22 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -38.04 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 t -67.15 -35.86 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -21.09 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.04 44.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -146.51 127.29 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -90.32 115.88 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.15 135.27 51.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.4 168.81 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -68.3 -24.53 64.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.65 -35.35 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -72.63 -31.28 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.4 -31.87 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -33.97 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.52 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -43.29 97.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.8 mt -72.42 -33.7 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -30.44 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.88 -30.0 40.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.82 -30.82 21.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.08 96.15 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.41 -27.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -89.61 9.8 25.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.363 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.79 23.91 23.94 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.624 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.36 -20.46 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.652 0.263 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.26 -17.08 58.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.692 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -116.16 162.71 17.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.03 104.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.65 172.56 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -57.63 -46.19 84.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.48 81.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.6 -43.24 85.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.11 -32.76 71.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 28.5 t -69.87 -48.62 62.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -61.59 -38.58 88.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -71.8 -34.64 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.4 mmt -64.57 -51.23 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.84 -25.08 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -60.88 -30.8 70.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.03 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.99 -38.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.9 t -59.33 -40.45 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.7 mm -80.08 -29.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -73.21 -35.35 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.88 76.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 31.3 t80 -87.92 -28.82 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -29.55 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -87.92 -35.66 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.17 -39.83 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.5 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.914 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.693 0.282 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.38 -34.1 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.22 -49.76 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -34.13 60.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -61.91 -32.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.38 -31.54 70.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.66 -28.33 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.87 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -78.23 -49.34 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.31 -44.09 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.21 -52.32 65.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.08 83.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -30.17 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -78.9 -20.29 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.23 41.57 98.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -106.46 -21.98 12.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.38 -22.92 19.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.33 131.8 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -110.84 100.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -75.05 -179.61 4.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.3 -42.07 72.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -29.97 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -85.19 -31.27 23.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.75 72.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.6 m -88.65 -29.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.63 -40.26 92.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -67.62 -38.97 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -36.3 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -20.98 64.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.71 36.94 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.8 139.13 39.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -101.83 125.87 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -137.48 138.06 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -82.87 170.79 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.64 -41.19 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.66 -36.51 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.71 -38.84 87.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.0 t -75.62 -42.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -30.38 64.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.95 -30.01 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.7 mtp -73.17 -32.16 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.1 -46.14 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -61.16 -48.16 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.1 -29.31 70.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.23 -39.97 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.4 94.64 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.0 mt -81.44 -3.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.514 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.58 -20.26 13.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 111.383 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.25 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.165 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.81 -20.54 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.4 89.28 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.146 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -129.59 133.05 46.96 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.9 mt -76.09 100.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -172.54 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -67.98 -52.02 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.47 -31.33 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -74.86 -37.88 62.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -64.28 -42.58 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 30.8 m -67.45 -35.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -39.35 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.34 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -40.47 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.13 30.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.5 p -78.39 -30.78 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.95 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.96 -31.13 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.35 -35.14 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 22.1 mt -80.93 -30.96 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.199 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -47.58 38.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.93 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.61 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.74 -27.19 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -57.13 -35.92 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -77.37 -31.53 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.24 98.95 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -124.45 -53.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -59.56 -31.18 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.93 -18.01 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.345 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.447 ' C ' ' HG ' ' A' ' 85' ' ' LEU . 10.9 m -60.07 -14.53 17.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.275 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -39.35 -41.8 0.97 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.769 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.01 -37.97 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.772 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' SER . 8.2 mt-10 -90.88 -48.0 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 ' HG ' ' C ' ' A' ' 81' ' ' SER . 2.9 mt -53.59 -29.0 35.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 16.2 tt -74.93 -30.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.02 -32.92 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.97 71.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.053 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -55.66 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -28.91 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.9 t -82.49 -33.45 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -76.49 92.88 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -72.19 -35.12 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -72.69 -20.28 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.14 28.38 72.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.536 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -96.22 -22.03 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.1 9.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.5 mt -146.81 129.95 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -103.99 123.24 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.02 -176.86 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.69 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.85 -28.29 36.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -77.04 -43.84 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.43 -50.69 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -30.4 68.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.24 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.8 -38.39 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.64 -36.25 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.3 m -64.5 -49.22 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.5 -39.11 88.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.6 mp -66.71 -21.1 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.58 48.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -147.13 119.16 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -88.4 125.17 34.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -138.44 137.75 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -82.53 166.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -31.34 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.98 -41.97 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.24 -40.14 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.02 -49.17 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.96 -30.13 58.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.61 -29.59 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.8 mtp -78.95 -32.04 45.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.26 -45.19 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -41.31 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.84 -30.17 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.78 14.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 104.65 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.97 -29.26 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.89 -20.25 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.59 40.45 38.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -109.03 -20.51 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.24 30.81 7.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -150.27 141.95 23.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.32 117.72 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 -169.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -65.95 -49.91 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.85 -32.72 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -80.65 -32.33 36.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.6 -49.45 76.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.75 -40.47 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.32 -48.92 79.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.4 ttm -60.08 -38.26 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -31.45 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 15.0 t -97.94 29.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.19 84.13 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.915 0.388 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.04 -13.58 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.414 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 9.2 mttm 78.93 -52.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.615 0.245 . . . . 0.0 111.181 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 68.96 42.19 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.08 -36.87 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -83.01 -48.68 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 34.3 t -59.33 -41.97 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 41.1 m -60.35 -32.04 70.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.24 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.994 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.59 -37.69 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -59.3 -36.95 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.6 mt -84.15 -38.22 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -45.66 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.733 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.39 81.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.33 -32.17 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.48 -43.62 96.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -65.32 -39.36 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.66 -37.02 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -46.14 46.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -28.31 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.86 -48.26 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -48.16 57.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 tttt -71.83 72.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 6.8 m -68.37 -28.76 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 69.2 -66.6 0.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.8 0.333 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 152.29 18.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.43 -57.8 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.02 -39.84 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -26.38 68.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -6.32 43.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.455 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.45 -34.01 17.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.728 0.299 . . . . 0.0 111.285 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.61 -25.57 15.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.716 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.51 -47.56 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.424 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.7 -33.03 71.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.4 tt -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.199 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.28 -38.2 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.27 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.53 -41.77 95.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.75 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.769 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.63 -37.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -46.05 78.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.29 81.49 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -68.49 -22.67 64.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -69.22 -20.25 63.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.95 33.78 86.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -109.16 -21.92 12.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.86 -28.61 10.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.1 mp -107.91 131.76 54.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mt -98.79 122.51 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.1 p -89.01 -178.93 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.53 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.33 -35.43 77.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.75 -39.75 95.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.74 -37.77 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.18 -34.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.24 -35.18 80.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -70.63 -33.43 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -39.82 49.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 mp -66.38 -21.09 66.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.44 42.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -134.13 134.32 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -117.46 114.1 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.94 147.9 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.0 p -69.07 178.52 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.4 -47.19 77.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.22 -36.53 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.86 -35.41 78.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.5 t -71.87 -48.34 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.86 -34.64 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.69 -32.98 74.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 mtm -73.8 -32.45 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 32.4 mm -71.08 -44.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -32.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.74 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.52 30.9 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.67 102.94 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.34 -52.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -82.79 -20.15 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.37 36.04 69.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -89.69 -20.28 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.48 30.24 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -152.0 179.99 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 22.8 mt -135.93 107.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.29 -176.17 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -60.63 -46.79 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.83 -30.92 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -69.99 -32.97 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.1 -32.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -82.33 -32.7 29.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.7 ttm -65.1 -45.25 85.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.8 tpp -80.09 -45.17 18.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.36 39.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 103.48 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -98.64 -58.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.0 mttt 60.94 160.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -127.12 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.87 -37.66 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -50.32 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -56.25 -29.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.2 m -80.24 -21.76 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -86.11 -38.73 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.239 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.87 -38.81 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.1 p -58.55 -43.87 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.2 mt -60.51 -35.97 66.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.75 -34.56 64.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.84 -30.92 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.51 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 8.3 t80 -70.86 -31.05 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -59.75 -30.62 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.987 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -81.41 -31.54 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.49 -34.55 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 72.1 mt -74.03 -45.76 47.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.1 mttm -78.41 -53.14 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.31 -34.65 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.75 136.0 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t 59.31 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.18 34.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mtp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 -66.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 65.54 14.44 9.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.442 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -41.3 7.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.65 -4.51 46.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.83 9.25 25.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.622 0.249 . . . . 0.0 111.338 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.87 -39.35 10.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -96.53 -21.29 17.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.304 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -86.81 -51.85 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.34 -41.07 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 tt -59.29 -37.87 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.26 -43.27 74.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.4 -29.96 61.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.39 -36.62 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -70.75 -36.47 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -40.7 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -70.61 -44.56 67.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 86.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -72.55 -30.95 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.49 -20.23 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.4 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -109.59 -21.93 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.641 0.257 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.03 30.83 7.64 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -145.21 129.9 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.45 120.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -93.81 171.57 8.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.36 -30.3 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.81 -27.69 33.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -74.19 -30.56 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.51 -55.01 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.85 -29.77 67.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -39.13 86.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.5 t -83.04 -32.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.39 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.21 -34.78 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -21.15 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -154.15 115.19 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -92.17 136.18 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.29 142.94 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -77.76 166.05 23.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.77 -38.48 78.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.41 -31.32 57.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.24 -33.47 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.8 t -86.47 -37.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -60.27 -31.38 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.7 -37.46 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 mtm -65.74 -35.63 81.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 13.7 mt -71.01 -33.66 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -31.46 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.38 -31.22 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.58 -39.99 13.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.96 114.0 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 mt -90.04 -37.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.86 -20.2 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.63 34.33 72.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.564 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -85.98 -20.35 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.33 28.63 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -155.66 139.08 15.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . 0.403 HD12 HG22 ' A' ' 136' ' ' ILE . 30.5 mt -83.17 122.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.08 174.77 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -63.76 -54.14 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -31.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -36.05 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -69.03 -30.61 69.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.92 -31.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -45.99 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.2 ttp -62.28 -48.98 77.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -39.78 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.41 32.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.5 -33.84 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 60.02 168.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.3 pttt -111.15 109.68 19.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.69 153.05 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -92.97 -32.49 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.61 -46.84 20.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.98 -38.26 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -31.02 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.89 69.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.33 -30.39 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.96 -37.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.452 HG23 HD12 ' B' 1912 ' ' ILE . 28.4 mm -83.49 -31.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.67 -30.82 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -79.07 -30.71 44.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.45 73.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -70.47 -29.19 65.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -46.68 85.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -29.68 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.0 -56.88 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.49 85.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.38 -49.26 78.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.67 -30.21 62.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -32.95 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.6 100.07 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 20.3 m -115.43 153.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 171.37 13.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.05 -33.3 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.08 -66.71 0.24 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.12 -35.99 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.86 -28.1 61.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -83.59 -11.22 57.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -94.56 -23.96 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -96.37 -27.66 14.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.319 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -90.18 -55.4 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.219 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -58.45 -30.97 67.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.7 tt -57.91 -38.87 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.264 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.9 -40.17 61.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.82 -30.77 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.412 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 26.2 t80 -64.09 -39.79 94.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.12 77.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.36 -33.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -34.07 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.0 83.46 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -65.48 -26.62 68.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -69.38 -20.26 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 32.41 80.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -105.03 -21.96 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.298 . . . . 0.0 111.159 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 -26.93 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.45 140.11 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.1 mt -116.84 122.9 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 p -88.81 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.97 56.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.04 -33.21 63.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.68 -52.45 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.72 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -36.16 78.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.34 -33.62 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.0 -44.84 87.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.5 t -61.91 -35.04 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -38.88 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 32.51 2.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.74 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -96.79 115.2 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.5 mp -130.66 156.0 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -96.06 168.37 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -44.63 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -32.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -52.74 48.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.65 -44.33 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.58 -39.27 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.06 -30.1 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -31.76 52.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.9 mm -68.45 -37.4 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.107 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.59 -37.73 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.12 -31.49 71.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.88 -31.02 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 102.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.8 mt -86.98 -30.88 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.37 -20.23 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.74 40.53 45.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.48 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -97.16 -20.43 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.23 28.15 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -147.58 179.71 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 32.8 mt -137.12 118.74 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.1 177.53 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.412 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 34.0 t80 -61.49 -39.97 92.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.83 -36.18 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.34 -31.43 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.8 -32.12 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 26.4 t -74.98 -33.2 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -50.32 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 21.6 ttp -58.65 -39.49 80.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 35.3 tpp -60.97 -55.38 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.56 39.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.32 43.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.2 mmtp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 -49.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.86 105.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.45 33.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -45.43 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.86 -31.15 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -64.89 -46.94 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 17.7 p -87.33 -4.89 59.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.475 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -79.88 -27.41 40.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.376 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 25.4 mm -87.55 -40.11 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -56.27 -30.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 21.9 mt -78.34 -47.09 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.204 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.94 -33.96 76.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -30.68 71.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.36 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 11.3 t80 -78.07 -28.38 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.05 86.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -73.12 -33.54 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 77.8 t80 -58.73 -30.0 67.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.52 -39.9 51.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -63.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -60.0 -59.07 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.4 tttt 59.71 30.9 20.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 5.5 m -112.54 103.84 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.37 -42.52 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.4 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.854 0.359 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.97 145.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -170.42 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -91.44 -31.76 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.5 -18.49 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.274 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.18 2.55 31.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.442 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -32.47 13.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -96.55 -27.08 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.62 -55.78 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.09 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.4 mt -57.75 -39.01 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.049 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.1 tt -59.62 -40.31 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' B' 1916 ' ' TYR . . . -64.94 -32.73 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 1.5 t80 -60.03 -32.41 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -34.84 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.72 -34.99 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CE2' HG23 ' A' ' 108' ' ' VAL . 5.1 m-85 -69.86 -35.89 75.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 92.88 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.07 -36.34 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -94.2 -20.23 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.45 46.85 66.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -93.53 -21.81 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -26.49 9.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.52 139.79 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.46 144.6 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.37 -171.82 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.56 -32.78 36.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.14 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -69.68 -31.51 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -83.19 -27.13 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -29.7 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 92' ' ' PHE . 17.9 m -87.16 -28.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -36.42 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -66.14 -34.1 77.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -37.45 37.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -21.05 66.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.79 43.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.92 150.19 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -113.46 116.83 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.32 140.03 52.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.6 m -85.35 168.42 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.94 -40.89 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.7 -39.86 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.72 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.4 t -69.53 -47.79 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.98 -31.13 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -30.41 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -36.26 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.73 -36.38 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.86 -47.21 87.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.16 -37.01 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.93 -35.47 43.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.32 102.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.428 HD13 HG23 ' A' ' 130' ' ' ILE . 35.5 mt -88.47 -30.63 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -87.39 -20.19 27.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.55 21.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.46 -20.41 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.05 -15.34 33.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.795 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -109.81 158.59 17.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.3 mt -108.92 139.67 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.29 173.22 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 30.7 t80 -59.89 -40.65 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.1 -43.29 87.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.12 -34.21 77.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.26 -30.56 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.02 -31.88 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.02 -39.69 72.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 40.0 ttp -65.54 -56.64 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.977 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -64.43 -48.82 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 19.1 t -96.97 38.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -66.62 -176.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.0 tttt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.8 0.333 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -86.61 98.95 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -127.1 -48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.22 30.57 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.03 -36.73 16.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -82.17 -39.62 22.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t -66.76 -30.36 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.4 m -78.89 -23.88 44.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.05 -32.85 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 27.5 pt -76.98 -38.56 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.384 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 19.3 m -58.87 -40.79 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 31.6 mm -77.2 -31.71 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -74.08 -48.42 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.86 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.412 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 3.9 t80 -66.04 -29.61 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -31.17 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -78.44 -35.48 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.72 -32.81 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -22.99 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.23 -40.39 18.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -81.66 -70.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -41.44 83.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.0 tttp 58.09 178.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 12.0 p -95.17 -31.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -89.17 157.54 18.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.769 0.318 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -115.65 -39.15 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -91.43 -39.46 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.68 -28.74 69.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -12.65 61.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.94 -39.27 26.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.718 0.294 . . . . 0.0 111.342 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -96.49 -22.18 17.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.572 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -85.36 -51.1 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.267 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -38.08 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.374 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.1 tt -58.32 -42.83 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.55 -45.69 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.38 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -59.68 -40.32 87.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -41.36 78.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.35 -34.04 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.34 -53.79 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -71.48 83.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -69.34 -20.26 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.52 35.14 78.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.59 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -106.37 -22.02 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.86 -28.26 8.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.57 129.93 55.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.34 119.78 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.9 p -85.58 -174.62 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.3 -38.73 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -33.05 74.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.95 -36.08 79.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 tt -65.69 -45.78 81.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 25.7 t -79.48 -31.21 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -63.71 -42.54 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.9 m -65.06 -42.19 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -37.57 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -21.07 65.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.19 41.23 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -144.55 135.26 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -114.94 127.47 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -149.98 142.85 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.9 p -69.43 174.73 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.33 -37.7 78.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.16 -36.99 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 27.1 t -71.95 -48.49 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -30.13 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.29 -34.88 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.2 mtm -73.54 -42.18 62.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.6 mm -64.08 -42.55 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -49.19 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.99 -36.26 80.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.83 -35.81 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.79 101.89 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -87.91 -28.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -92.26 13.44 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.14 25.24 17.48 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.679 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.73 -20.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.599 0.237 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.33 -13.66 64.58 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.801 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -112.31 155.28 24.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.889 0.376 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.2 mt -96.58 105.05 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.96 -177.59 5.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.13 -44.62 91.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -38.6 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.54 -30.72 68.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.99 -30.6 65.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 25.7 t -69.45 -37.08 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.143 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -77.73 -34.92 52.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.2 ttm -64.4 -61.66 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 11.9 tpp -63.61 -46.5 85.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 4.8 t -96.04 39.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 0.0 111.07 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 p -70.66 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.933 0.397 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -110.13 -48.89 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.9 mttt 60.75 163.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -130.42 84.4 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.49 -48.06 8.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.09 -53.68 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -54.94 -28.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -73.16 -24.85 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.89 -34.03 21.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 111.251 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.46 -44.64 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 12.2 p -58.69 -43.08 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.6 mt -60.1 -46.74 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.55 -44.62 81.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.63 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -74.03 -29.12 61.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -58.32 -30.27 66.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -32.63 26.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.1 t80 -62.25 -31.23 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 56.0 mt -80.6 -30.04 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -29.65 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -37.16 23.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -36.55 21.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 6.2 mttp -116.56 140.75 49.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t 63.61 115.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -42.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -109.72 -30.57 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 68.08 -69.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -57.06 -44.39 82.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.998 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -17.0 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.79 8.66 24.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.413 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.01 -38.29 10.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.766 0.317 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.39 -22.8 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.422 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.6 -56.04 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 111.059 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.55 -40.21 82.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 tt -59.94 -34.99 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -76.73 -46.62 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.22 -30.46 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -45.1 96.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -62.67 -34.45 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.62 -36.79 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.8 -48.41 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -65.69 86.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -70.23 -31.61 69.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -75.15 -20.2 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.43 95.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -109.55 -21.88 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 -10.89 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 11.1 mt -114.22 134.05 55.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mt -107.75 117.64 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 168.08 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.64 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.55 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.44 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 33.2 mt-10 -85.75 -22.5 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.23 -11.52 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.664 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -89.84 -32.99 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.248 . . . . 0.0 111.353 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 2.9 p-80 -75.53 -30.67 59.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.816 0.341 . . . . 0.0 111.062 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.449 ' N ' ' CD2' ' A' ' 107' ' ' HIS . 19.5 m -75.0 -34.42 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -30.98 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.7 m -68.71 -36.81 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.5 -39.38 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.77 -21.15 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.05 50.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.93 162.92 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 121.45 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.0 146.05 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 172.92 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -43.97 91.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.1 -40.79 95.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -34.44 76.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.08 -46.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -29.99 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -29.92 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 23.3 mtm -79.34 -39.34 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.433 HD11 HG21 ' A' ' 125' ' ' ILE . 35.6 mm -68.26 -39.84 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -64.59 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.03 -30.83 58.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.19 -39.18 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.1 108.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.98 -32.03 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -73.47 -20.2 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 43.82 63.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -109.0 -20.27 13.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.278 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.48 -25.07 14.15 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 38.4 m80 -109.86 137.02 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.35 125.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.42 -170.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.39 -31.35 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.25 -31.92 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.16 -31.08 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.9 -51.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.42 -30.74 68.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 3.3 tmm? -75.38 -41.78 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -51.5 53.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.1 m -98.42 33.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p -65.85 147.1 53.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.756 0.313 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 93.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 8.2 tttt -150.45 116.21 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 60.25 87.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.4 -32.93 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -41.52 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -58.23 -40.98 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -60.35 -34.87 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -68.42 -36.13 78.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.45 -37.84 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -56.6 -29.66 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.285 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.8 mm -88.7 -29.3 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -81.23 -32.91 33.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -41.67 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.55 76.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 16.2 t80 -61.07 -30.32 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -37.76 77.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -69.9 -31.02 68.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.77 -35.56 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.66 -31.96 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -33.19 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.81 -36.76 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -46.88 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 8.8 mmtt 60.19 110.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -118.68 -53.25 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 118.58 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 154.26 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -166.52 -48.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.08 -33.13 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.76 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.72 10.23 35.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.274 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -95.04 -51.88 4.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.807 0.337 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -85.68 -20.13 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.505 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -86.2 -48.01 8.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.184 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.8 mt -70.0 -39.28 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.219 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -56.89 -35.45 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.25 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -74.14 -30.87 62.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.13 -30.31 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 100' ' ' ILE . 11.9 t80 -59.95 -39.72 86.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -63.24 -43.63 97.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -46.82 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.23 -42.37 93.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.95 92.92 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -69.14 -42.34 76.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -84.65 -20.17 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.22 33.2 84.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.563 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -79.7 -21.94 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.14 24.91 6.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 mp -161.15 162.47 31.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 89' ' ' PHE . 31.7 mt -126.47 107.47 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.7 p -85.14 175.11 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.52 94.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.22 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -79.13 -34.11 43.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.43 -48.04 52.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -61.88 -32.95 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -39.03 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.6 t -79.26 -33.65 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.38 -36.67 83.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.7 m -64.01 -41.7 97.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.3 -31.96 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.79 -21.04 65.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.42 37.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 118.72 10.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 122.11 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 mp -141.26 121.42 13.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.55 179.99 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.4 -21.91 57.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -42.71 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.16 -32.89 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.01 -37.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -35.15 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -30.83 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.8 mtm -77.49 -42.93 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.3 mm -61.96 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -61.47 -36.75 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -30.62 71.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.63 -28.51 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.59 91.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.4 mt -78.04 -30.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -84.18 -20.28 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.57 45.92 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.18 -20.37 12.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.58 28.56 8.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -149.77 140.39 22.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.6 mt -94.87 126.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.63 169.23 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.28 -33.54 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.54 -31.5 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.56 -38.13 34.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.96 -31.46 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.51 -51.36 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -60.16 -34.42 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -49.96 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.4 tpt -62.58 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 30.2 m -98.33 32.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.2 p -69.93 -33.55 72.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 pttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 2.5 mmtp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -153.04 -175.8 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -118.05 85.2 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.81 167.59 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -87.88 -30.92 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -72.03 -33.79 68.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 11.2 p -74.55 -29.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 58.8 m -87.04 -28.25 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.05 -35.31 61.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.23 -32.91 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 37.4 t -67.46 -44.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.056 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.6 -35.59 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -33.37 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -69.45 -43.31 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -63.05 -45.49 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 10.1 t80 -66.76 -29.49 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.13 -34.97 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.14 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.24 -39.01 85.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -35.34 35.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -32.07 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -64.77 -37.22 86.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.75 -33.3 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.82 32.43 0.27 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 26.9 m -98.15 111.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.8 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -107.97 173.83 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -110.72 -44.77 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -78.43 -31.82 48.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 -0.96 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.45 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 39.4 t -87.24 10.92 15.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.471 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -43.98 -30.37 0.71 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.789 0.328 . . . . 0.0 111.514 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.79 -34.39 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.792 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.2 mt-10 -90.07 -50.46 5.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.407 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 11.5 mt -53.05 -33.92 54.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.064 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 tt -59.55 -31.74 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -68.57 -35.85 77.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.77 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.24 -40.27 96.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -67.48 -35.94 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.3 t -69.18 -32.6 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -79.84 -31.04 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.36 92.95 8.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -74.78 -37.11 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -69.48 -20.22 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.48 33.76 82.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.427 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -100.78 -21.91 15.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.5 26.63 5.3 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.573 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.6 mt -161.28 130.35 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -99.14 131.79 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -170.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.34 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.26 72.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.85 -52.23 52.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.4 -44.04 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -36.71 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -44.79 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.4 t -67.78 -36.56 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.77 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 m -71.57 -40.0 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.8 -43.12 66.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.69 -21.03 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.58 34.36 2.88 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.71 152.74 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 141.41 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -144.89 149.98 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 p -78.4 168.83 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.78 -37.68 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.73 -31.25 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -37.34 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.84 -41.83 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.69 -30.28 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -40.0 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 ttm -61.62 -44.46 96.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.71 -39.17 77.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.64 -27.88 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.01 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 -30.74 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.294 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 103.65 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.31 -20.27 34.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.74 54.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -92.01 -20.38 21.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.36 -24.48 25.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -109.83 143.3 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.8 131.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.5 175.7 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -59.94 -55.2 37.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.12 -40.21 80.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.12 -41.71 93.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -60.01 -31.86 70.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.89 -35.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -66.56 -37.02 84.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 24.8 ttm -61.45 -49.18 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -48.87 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 12.6 t -100.57 34.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.0 p -60.07 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.44 -48.64 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.77 127.27 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -161.79 -45.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -63.36 -39.3 94.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -66.65 -45.88 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -62.73 -30.07 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 75.0 m -86.89 -22.7 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.01 -28.93 22.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -30.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 26.6 m -74.98 -29.47 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.7 mt -85.57 -31.0 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.69 -35.19 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -68.08 -31.83 71.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.02 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 38.1 t80 -80.19 -30.66 38.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.6 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -76.46 -33.13 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.82 -34.3 73.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 30.7 mt -75.96 -40.17 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -42.95 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -33.44 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.4 mttt 60.26 173.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -114.9 -44.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.04 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 16.2 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -109.69 164.6 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -108.58 -36.89 6.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -99.86 -30.52 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.93 -2.78 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.367 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 84' ' ' GLU . 2.3 p -89.06 10.88 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -44.35 -30.48 0.84 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.739 0.305 . . . . 0.0 111.54 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.61 -34.48 62.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.8 OUTLIER -90.27 -50.72 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -53.01 -33.56 52.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 tt -60.82 -31.67 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -72.4 -31.12 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.96 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 100' ' ' ILE . 50.0 t80 -69.52 -31.43 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -53.73 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 -25.68 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -75.65 -36.22 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.04 89.45 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.02 -36.82 69.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.52 -20.17 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.59 36.26 91.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -107.7 -21.97 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.701 0.286 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.56 -22.02 13.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.611 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.0 mt -106.37 147.2 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 89' ' ' PHE . 30.3 mt -122.48 109.71 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.76 176.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.26 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.37 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -80.41 -45.44 17.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp -58.41 -47.39 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -29.69 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -76.64 -33.12 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.84 -47.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.1 -29.27 65.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 m -62.99 -65.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -60.23 -30.19 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.7 -21.06 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 31.52 4.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.5 114.48 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.73 118.76 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.5 mp -126.93 137.61 53.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -77.87 167.92 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -60.32 -40.07 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.03 -34.77 57.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.2 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.33 -43.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -29.14 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -30.01 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.5 mtp -72.07 -40.62 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.0 mm -64.12 -42.46 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.02 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.58 -30.38 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.86 -27.95 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.265 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 105.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 mt -87.87 -30.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -88.79 -20.33 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 45.33 58.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -110.28 -20.38 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.658 0.266 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.85 32.92 4.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -156.83 145.38 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.85 115.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.94 172.07 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -59.52 -32.02 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -25.25 56.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -89.46 -28.41 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -71.67 -30.77 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.07 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.17 -41.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -65.96 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.64 -32.08 71.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.08 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.39 -31.58 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m -62.08 150.56 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.847 0.356 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -152.74 151.34 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -157.68 152.79 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.44 33.56 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -38.72 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.36 -40.65 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -62.13 -32.5 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 45.2 p -73.27 -30.87 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -71.07 -31.19 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 15.3 mt -70.17 -30.75 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.4 t -65.33 -42.43 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.433 HG22 HD11 ' B' 1912 ' ' ILE . 24.9 mm -78.33 -31.01 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -75.31 -35.82 61.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -71.8 -39.25 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -63.34 -45.63 90.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 28.3 t80 -64.13 -29.95 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -41.82 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -28.22 59.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 39.8 t80 -57.65 -43.02 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.26 -49.09 29.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.96 -31.43 72.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -74.3 -38.21 63.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -75.77 -36.15 59.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 64.95 -76.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.2 t 67.53 110.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 18.1 pttt -148.94 -46.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.92 120.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -152.58 -51.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.03 -25.59 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.94 -2.47 40.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.505 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 84' ' ' GLU . 23.8 m -86.64 10.87 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.357 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -44.42 -30.15 0.81 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.697 0.284 . . . . 0.0 111.421 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -74.76 -34.66 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' SER . 3.0 mt-10 -90.11 -50.37 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.414 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 10.0 mt -53.26 -33.32 52.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.6 tt -60.63 -31.58 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.18 -31.55 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.87 68.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -36.71 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 m -64.85 -34.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.93 -37.28 81.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.2 92.9 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.27 -54.16 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -74.05 -20.23 60.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.84 60.67 7.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.654 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.87 6.64 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.78 -24.55 27.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.272 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 155.76 41.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -96.31 93.8 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.85 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.73 87.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.13 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.1 tt -74.97 -50.7 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -31.36 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -46.26 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.69 -34.18 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -60.73 -47.62 85.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 m -64.83 -36.04 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.17 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.27 -21.01 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.33 46.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.81 123.95 10.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -82.92 122.89 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.7 mp -139.4 133.89 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.1 p -92.18 172.81 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.08 -26.12 62.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -36.21 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.97 -31.48 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.627 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.0 p -73.73 -31.24 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -36.74 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.1 mtp -64.57 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 23.0 mt -81.01 -36.68 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -49.9 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -103.18 29.05 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.77 101.44 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.2 mt -73.85 -37.5 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -96.15 -20.22 18.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.52 81.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.48 -20.44 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.649 0.261 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.44 28.98 4.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -156.27 173.13 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.0 mt -123.03 130.3 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 177.69 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -60.27 -39.68 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.38 -40.82 96.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -65.45 -36.19 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -38.6 91.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 24.3 t -70.38 -47.75 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.43 -40.47 91.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.7 ttm -62.2 -43.27 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mmt -60.33 -36.85 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 29.0 m -104.59 31.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.3 p -81.03 160.67 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.1 mmtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -31.31 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 133.7 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -117.87 79.43 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.1 -31.11 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.55 -60.84 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 11.3 p -59.23 -32.28 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 -33.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.44 58.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.7 mt -71.39 -30.51 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.21 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -69.14 -31.53 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.72 -31.17 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -79.4 -36.97 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.49 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.49 -27.81 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -57.41 -47.31 82.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.83 -31.92 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 32.1 t80 -63.02 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.56 -47.62 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.88 -35.97 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -58.34 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -31.07 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -59.89 175.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t 64.05 138.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.06 121.04 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.863 0.363 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 134.54 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.17 -49.88 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -58.84 -29.76 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -4.2 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.405 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' GLU . 69.6 m -86.1 10.84 13.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.408 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -43.46 -36.82 2.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.721 0.296 . . . . 0.0 111.511 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.54 -33.76 75.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' SER . 2.4 mt-10 -90.42 -52.37 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.74 -37.94 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 7.0 tt -57.26 -40.48 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.199 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -61.95 -37.65 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -51.98 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.39 -36.8 66.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.4 -45.09 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -79.56 84.93 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -64.5 -27.45 68.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.48 -20.13 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.63 35.21 90.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.602 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -109.24 -21.93 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.2 -27.47 10.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.453 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.4 129.9 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.13 138.07 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.03 177.34 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.34 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.13 65.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -77.43 -30.75 53.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.68 -48.0 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -30.4 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -35.26 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.2 p -87.69 -31.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -43.27 93.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 t -62.72 -41.25 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.82 -41.82 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.1 -21.04 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.0 49.99 0.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -153.05 121.59 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 117.6 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.863 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.85 150.85 47.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.2 p -84.28 166.4 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -42.44 85.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.6 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.9 t -69.07 -47.54 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.69 -36.73 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.96 -29.09 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.38 -35.79 46.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.5 mm -66.57 -40.72 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -71.2 -36.64 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.58 -30.5 65.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -91.5 -40.03 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.11 86.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.15 -21.64 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.302 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -20.25 65.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.76 92.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -110.81 -19.32 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 111.211 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.62 -25.97 12.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -110.0 133.03 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 14.6 mt -82.02 137.0 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -171.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -75.44 -33.44 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -31.23 49.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.97 -33.8 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.66 -44.44 96.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.47 -31.0 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -31.02 70.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.5 ttp -78.45 -35.7 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.56 75.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.9 m -94.64 -25.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.258 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m -56.14 -32.02 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 60.09 31.78 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 15.8 mttp -154.12 79.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -61.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -37.01 81.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -53.53 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.3 m -57.07 -42.99 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -63.16 -36.65 84.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.66 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.249 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.4 mm -65.72 -36.74 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 22.5 t -58.43 -32.68 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.158 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.9 mt -78.81 -37.5 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -75.63 -31.41 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.99 -42.68 80.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.91 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.93 -30.71 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.18 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -32.05 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -68.22 -44.98 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.62 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -39.33 54.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.4 tttm -71.78 -37.4 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -33.96 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 126.7 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.8 m -74.88 151.1 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 135.26 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -131.98 31.49 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -86.83 -36.66 18.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -61.04 -31.04 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -13.31 62.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.4 m -85.59 10.95 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.458 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -42.55 -43.44 3.74 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.783 0.325 . . . . 0.0 111.599 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.69 -32.52 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 110.701 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.8 tt0 -90.39 -45.42 9.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.873 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.31 -30.94 63.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.1 tt -59.14 -32.12 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -68.22 -36.84 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -34.46 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -65.83 -31.36 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -72.13 -38.88 69.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.08 -44.77 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -60.2 -32.28 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.97 92.8 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -42.01 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -70.56 -20.28 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.97 38.6 96.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.565 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -103.97 -21.87 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.671 0.272 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.72 8.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -108.18 132.58 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.0 mt -99.72 136.56 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.16 178.67 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.53 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.92 -30.86 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -74.52 -42.54 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -33.81 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -78.63 -30.81 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -70.16 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.74 -33.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.6 mtt -65.25 -46.99 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.3 m -61.36 -37.02 81.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.44 -40.24 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.02 -20.99 65.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.03 47.2 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.0 105.71 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.46 127.07 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 mp -140.75 140.23 34.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 38.2 p -78.52 168.13 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.78 -45.63 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.96 93.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.02 -44.38 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 20.6 t -66.61 -49.41 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -31.22 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.01 -31.97 69.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 5.6 mtp -76.88 -33.18 57.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.6 mt -72.24 -47.98 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -56.99 -39.24 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.88 -30.94 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.64 30.82 6.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.05 93.26 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.19 -30.96 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -88.89 -20.24 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.03 44.72 90.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -110.41 -20.33 12.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.34 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.804 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -109.97 164.73 12.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.95 122.84 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -97.56 167.32 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -58.24 -39.41 79.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.38 -33.74 75.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -75.01 -32.45 61.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.71 -40.37 95.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.48 -46.08 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -32.89 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.0 ttm -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -43.36 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 15.7 m -99.69 30.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -31.63 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -129.84 114.06 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -135.12 -178.47 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -169.68 -43.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.39 -37.71 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.88 -48.04 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 18.5 m -62.04 -31.0 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -83.3 -23.42 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.38 -28.3 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.69 -30.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.348 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 30.0 m -68.96 -37.07 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 42.6 mt -74.28 -42.51 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.48 -36.49 84.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.94 -36.48 84.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 6.6 t80 -73.86 -30.0 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -48.92 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -59.48 -33.84 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 -55.21 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -17.11 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.291 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 -23.16 22.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.18 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -51.69 3.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.239 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -33.57 10.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.9 t 69.27 -67.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.164 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.29 -55.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 25.9 mttt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.1 mtt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -172.02 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -141.94 -51.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -69.13 -30.18 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 0.09 53.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' GLU . 71.9 m -85.79 10.95 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.51 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.69 -30.18 0.89 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.701 0.286 . . . . 0.0 111.385 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -74.91 -33.78 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' SER . 2.3 mm-40 -90.51 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.744 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 9.1 mt -52.67 -35.4 55.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.29 -44.22 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -61.09 -32.14 71.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.41 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -65.32 -31.06 72.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -53.05 16.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 m -63.96 -31.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -70.06 -46.24 65.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.34 91.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -69.94 -33.29 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.01 -20.25 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.81 36.99 93.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -109.71 -21.84 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.53 -19.68 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.716 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.34 139.97 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.08 129.72 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 p -101.33 -177.66 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.0 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.91 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -64.98 -55.03 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -35.94 82.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -35.21 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -40.3 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.16 -32.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.9 -40.93 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.9 m -64.66 -36.83 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -70.81 -39.47 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.14 -21.01 66.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.583 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.41 109.94 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 112.68 19.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.87 149.9 32.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.02 169.71 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.36 -39.2 93.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -75.36 -34.97 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.36 -51.57 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.09 -46.7 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -59.48 -30.87 68.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -75.51 -36.76 60.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.9 mtm -67.97 -31.16 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.72 -37.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -33.09 66.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -78.68 -29.81 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.3 31.17 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.29 93.17 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.5 mt -77.92 -34.6 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -82.43 -20.25 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.17 74.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -90.48 -20.42 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.71 28.35 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -156.0 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -95.34 124.08 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -99.38 174.25 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 89' ' ' PHE . 62.1 t80 -60.21 -39.56 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.62 -35.77 75.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.49 -36.37 57.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.15 -32.03 70.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 30.8 t -73.53 -32.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -73.4 -37.38 65.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -72.2 -38.88 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.44 -31.35 72.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.44 -34.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.263 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -68.59 108.09 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.339 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.71 31.11 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.4 mttt -134.97 -168.66 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -168.08 90.82 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -91.33 -29.77 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -58.19 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 29.7 m -63.73 -28.02 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -81.66 -26.48 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -84.97 -33.91 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.411 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.04 -38.89 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.395 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 3.4 m -62.29 -37.8 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.156 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1912 ' ' ILE . . . . . 0.406 HD13 HG22 ' B' 1912 ' ' ILE . 41.2 mt -77.38 -30.44 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -34.75 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -74.83 -46.79 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.68 69.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.446 ' CZ ' ' CD1' ' B' 1920 ' ' LEU . 31.3 t80 -80.87 -31.32 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.99 -35.75 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 44.5 mtt85 -72.66 -38.11 67.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 44.0 t80 -60.51 -30.98 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1920 ' ' LEU . . . . . 0.446 ' CD1' ' CZ ' ' B' 1916 ' ' TYR . 8.2 mp -83.24 -48.49 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -29.55 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -35.45 70.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -32.38 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.91 175.17 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 19.5 t 69.18 -67.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 2.0 tttt -169.04 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 21.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 131.31 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -86.51 -43.63 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -73.37 -38.03 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.09 -5.29 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.56 10.16 21.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.433 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -94.79 -42.41 8.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -96.47 -20.33 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.346 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -86.58 -36.12 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.06 -32.62 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.02 -44.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.202 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -69.78 -34.0 73.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.803 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.74 -27.05 44.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -74.68 -30.18 61.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -80.59 -39.12 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 p -69.85 -30.47 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -60.07 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -64.88 93.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -42.13 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -69.4 -20.24 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.212 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 47.19 92.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -86.32 -11.37 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -27.01 9.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.59 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.1 179.94 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.75 98.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 p -78.23 -168.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.75 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.79 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.19 -40.48 94.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.59 -31.06 70.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -30.58 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -40.89 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.6 m -78.63 -29.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 mmt -69.0 -33.5 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 t -75.14 -31.0 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.6 -35.17 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.62 -21.06 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 47.93 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -152.75 119.67 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.29 143.41 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.8 mt -148.85 133.56 17.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 65.6 p -69.85 179.51 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.01 -31.12 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -40.25 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.73 -39.76 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.1 t -74.98 -49.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.13 -32.26 54.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -29.93 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.9 mtp -75.86 -34.69 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 125' ' ' ILE . 34.8 mm -68.64 -46.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -44.37 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.198 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.98 -28.47 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.074 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.58 -27.03 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 72.55 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -60.35 -27.0 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.962 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.67 71.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.236 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.71 -20.49 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.597 0.237 . . . . 0.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.31 -21.52 35.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.865 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -109.73 129.82 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 33.9 mt -76.23 103.61 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.84 -177.46 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.31 -42.31 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -43.89 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.08 -36.19 83.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -63.77 -30.4 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.35 -51.08 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.76 69.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -49.46 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.4 mmt -59.96 -58.3 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 5.3 m -97.1 37.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p -61.76 -33.21 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -79.51 108.73 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.75 156.64 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.59 31.0 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.06 -31.08 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.48 -31.49 29.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -76.96 -31.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.45 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.94 -42.47 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -59.57 -32.73 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 13.5 mt -80.15 -36.28 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -31.5 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -50.58 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.43 -32.44 70.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 9.0 t80 -84.06 -28.41 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -58.4 -38.83 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -77.7 -32.82 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.7 -56.12 25.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.87 -41.93 96.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.07 -44.18 94.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -34.3 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -30.32 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.6 170.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.5 t -89.16 137.59 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 5.8 tttt -166.96 133.82 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 18.8 pttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -102.09 -39.02 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 71.18 -61.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.477 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.97 9.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.497 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.04 -27.05 68.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.89 10.2 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -54.99 3.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.24 -23.13 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.594 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.65 -56.94 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 111.158 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 36.6 mt -57.77 -39.71 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.247 -179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.6 tt -57.01 -42.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.222 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.34 -36.43 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.71 -31.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.32 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.42 -45.0 92.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.14 -29.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -50.97 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 76.26 7.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.53 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -69.21 -19.9 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.407 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.19 38.14 22.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.83 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -22.33 18.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.735 0.303 . . . . 0.0 111.158 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 -30.24 8.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.416 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.06 130.98 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.575 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.9 mp -79.67 119.43 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -164.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.73 -26.17 57.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.96 -28.75 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -75.84 -41.34 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.043 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.61 -52.35 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -29.69 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -41.55 88.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.47 -31.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.9 mmm -69.38 -39.7 77.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.1 m -69.71 -37.65 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -41.79 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.76 -21.07 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.93 44.3 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 108.56 4.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 142.03 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -148.31 124.98 11.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -61.82 174.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.04 -32.32 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -43.38 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.11 -46.02 91.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.5 t -64.67 -50.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -36.73 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.32 -29.09 70.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 mtp -81.96 -34.53 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 38.8 mm -64.91 -41.45 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.102 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -65.91 -42.68 89.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.5 -31.22 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.19 -31.55 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.63 103.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.5 mt -88.05 -30.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.14 -20.16 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.49 40.78 26.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 -20.37 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.706 0.288 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.68 32.26 6.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -148.36 145.56 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 4.5 mt -106.24 121.27 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.17 -175.51 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -65.76 -38.43 89.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -39.3 87.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -75.49 -31.48 60.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.9 t -76.09 -37.63 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -49.0 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.4 ttp -66.24 -34.87 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.0 mmt -61.5 -51.92 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 29.2 m -98.08 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -83.71 160.96 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.807 0.337 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -68.51 131.84 45.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 8.2 mttt -82.52 167.32 18.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -81.34 -28.16 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.25 -37.95 73.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.97 -46.76 64.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.94 -27.65 69.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -83.43 -26.93 29.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.69 -45.98 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.311 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -57.84 -36.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.347 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.91 -50.85 50.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -62.47 -31.09 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.48 81.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.55 -29.44 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -45.24 90.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.55 -30.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.7 t80 -59.37 -53.53 57.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.19 -39.38 86.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.72 -28.03 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 11.7 mttm -79.25 -44.72 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.003 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.9 -46.39 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -102.25 128.18 48.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -122.71 135.28 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.65 104.42 15.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -166.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 69.39 -65.4 0.3 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -54.36 -29.58 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -21.27 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -85.13 10.6 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.37 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -41.32 -55.62 2.68 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.706 0.289 . . . . 0.0 111.644 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -49.0 -30.53 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.994 0.426 . . . . 0.0 110.893 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.77 -38.2 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.8 mt -54.7 -24.63 22.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.699 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 mt -63.05 -42.29 96.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.33 -32.76 68.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.75 -38.34 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.044 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.04 -30.72 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.38 -52.89 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 28.5 m -60.24 -45.11 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.21 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE2' HG22 ' A' ' 108' ' ' VAL . 5.1 m-85 -59.54 -47.18 86.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.45 92.37 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -75.45 -31.21 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -78.73 -20.11 50.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 41.8 98.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.75 -21.82 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.708 0.289 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -22.23 13.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.64 129.85 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mt -101.92 99.53 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.1 p -71.82 176.36 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.94 93.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.81 -31.26 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.1 -31.43 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -31.68 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.42 HG22 ' CE2' ' A' ' 92' ' ' PHE . 23.2 m -84.16 -32.86 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.4 mmt -65.13 -38.8 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -34.04 29.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.92 -21.0 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.17 44.61 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.38 149.91 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 131.57 54.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.09 149.31 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 m -97.55 170.69 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -39.76 92.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -41.93 68.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.03 -49.21 78.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.3 t -62.75 -48.92 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -38.23 81.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -35.19 73.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 21.2 mt -73.93 -40.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -34.44 74.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -31.43 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.18 31.29 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.78 99.21 8.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.45 -31.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.38 -20.17 22.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.74 85.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.67 -20.41 12.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.68 39.27 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -149.06 148.75 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.5 mt -111.0 102.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.24 -176.72 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -66.1 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -31.23 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -84.32 -31.51 24.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -63.02 -32.01 73.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.5 t -74.08 -39.4 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -68.02 -44.45 76.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -59.82 -41.65 91.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 17.9 t -109.25 33.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.74 87.23 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.798 0.333 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 60.1 71.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.07 -39.53 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.98 62.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.47 -32.47 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.4 -31.21 33.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.6 t -63.56 -33.53 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.6 m -75.79 -27.67 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.84 -47.78 35.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.3 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 pt -57.46 -28.21 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.376 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 25.4 t -62.79 -45.28 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 3.7 mt -71.88 -35.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -43.43 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -42.18 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.88 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 17.4 t80 -70.42 -31.18 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 25.7 t80 -64.05 -43.71 94.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.2 mt -72.36 -38.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.81 -31.69 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.03 58.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -86.87 -31.62 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 146.89 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 5.9 m -137.1 -47.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -138.26 146.45 42.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.778 0.323 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 108.29 16.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -146.25 -46.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.4 -28.93 57.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.16 -3.12 44.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.43 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLU . 68.6 m -89.14 11.01 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.264 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -43.69 -30.85 0.68 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.812 0.339 . . . . 0.0 111.621 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.12 -33.51 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -90.39 -50.55 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.04 -35.17 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 tt -61.17 -34.06 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -67.96 -31.55 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.4 76.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.74 -43.29 94.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.4 58.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.94 -38.96 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -63.97 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 91.08 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -40.82 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.55 -20.33 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.69 28.11 73.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.81 -21.87 17.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.314 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 24.84 5.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 13.3 mt -146.88 145.12 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.04 112.59 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 t -89.23 -179.63 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.57 -34.29 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.77 -30.3 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -79.47 -31.36 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.25 -37.45 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -28.53 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -39.34 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.8 m -81.76 -30.37 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mmt -72.04 -43.11 65.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 t -59.94 -36.73 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.71 -39.59 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -20.96 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.13 48.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -140.82 131.34 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 118.28 36.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 133.55 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.69 172.55 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.0 -45.61 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.14 -42.42 94.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.77 -31.63 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.4 t -74.68 -48.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -30.92 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -36.9 56.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -37.01 84.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 27.4 mt -73.82 -44.29 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.59 -27.59 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -30.44 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.42 -30.22 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.27 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.64 112.2 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 20.2 mt -84.73 -29.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.25 -20.29 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.7 28.35 61.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.446 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.48 -20.35 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.725 0.298 . . . . 0.0 111.22 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.64 -24.61 16.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.425 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 25.7 m80 -110.47 147.92 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 3.6 mt -91.81 91.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.16 159.74 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -54.57 -32.81 59.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -64.93 -25.33 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -56.95 -47.99 79.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.8 t -63.16 -39.49 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.04 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 ttm -60.08 -36.3 77.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -33.04 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.96 30.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m -106.21 103.45 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.825 0.345 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 166.3 24.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 6.5 mttt -115.04 149.64 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -145.66 45.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.95 -34.99 64.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -58.76 7.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 12.2 p -59.06 -30.45 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -32.15 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.49 62.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 14.6 mt -69.88 -39.15 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 24.6 t -59.74 -44.0 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.3 mt -74.06 -32.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -35.42 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -47.44 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.65 -30.19 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 15.1 t80 -81.37 -30.53 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.13 -35.47 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -31.06 60.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -69.19 -31.18 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -32.33 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -39.14 92.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -70.21 -42.55 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -93.52 15.06 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.204 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.95 179.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 12.8 p -98.85 -30.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.29 133.51 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.74 95.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -109.03 -29.77 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -56.77 -27.63 59.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.46 -2.41 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.513 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLU . 72.1 m -87.66 10.92 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.313 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -44.27 -30.2 0.77 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -75.42 -34.06 60.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.0 OUTLIER -90.2 -50.61 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.907 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.405 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 9.7 mt -52.52 -29.69 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.2 tt -66.0 -30.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.29 -30.71 62.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.999 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.32 -26.99 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -70.66 -34.45 72.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.48 -44.73 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.33 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -70.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.9 83.71 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -62.33 -29.17 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -69.48 -19.42 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.56 49.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.012 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -22.48 44.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 0.0 111.231 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.46 -12.93 59.58 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.637 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -133.69 130.05 37.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.64 118.8 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 p -95.56 -179.34 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -39.61 79.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.24 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 9.3 mt-10 -61.31 -64.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -26.19 8.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.269 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -42.1 85.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.215 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 3.3 p-80 -84.28 -28.23 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.458 ' N ' ' CD2' ' A' ' 107' ' ' HIS . 41.4 t -68.58 -34.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.5 mmt -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 m -71.46 -41.27 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -66.0 -42.97 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.32 -20.99 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.4 48.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -158.56 113.85 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -81.29 135.42 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.2 mt -144.47 151.49 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -91.73 165.32 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.23 -32.7 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.29 -37.0 53.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.97 -45.36 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.28 -44.34 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -34.9 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.97 -32.01 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtp -77.28 -35.51 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 17.9 mt -71.54 -44.68 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -57.93 -42.67 85.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.13 -30.6 71.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -111.2 32.49 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.51 96.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.5 mt -78.48 -33.05 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.06 -20.25 32.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.06 35.1 88.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.427 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -107.79 -20.38 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.77 35.59 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -142.04 155.13 45.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -116.34 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -102.82 176.89 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.1 -35.82 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -32.7 68.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -83.56 -35.27 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.19 -40.73 91.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.72 -36.81 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.65 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -67.11 -39.94 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.11 30.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p -70.94 145.02 50.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.836 0.351 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -101.21 127.11 47.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 10.6 mttp 64.11 -76.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.19 28.64 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.06 -37.64 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.62 -38.98 74.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 32.1 t -60.17 -47.73 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 34.2 p -69.51 -30.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.78 92.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 7.0 mt -63.62 -32.18 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.8 t -58.51 -50.84 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.56 -36.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.69 -50.63 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -50.18 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.99 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1916 ' ' TYR . . . . . 0.417 ' CE2' HD13 ' B' 1920 ' ' LEU . 9.4 t80 -83.48 -27.98 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -30.97 65.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -83.0 -38.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.71 -34.91 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1920 ' ' LEU . . . . . 0.417 HD13 ' CE2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -75.68 -42.97 49.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -45.24 73.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -32.63 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -68.96 -31.73 70.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.68 -66.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 143.33 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.07 125.76 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 163.98 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.49 -31.27 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -86.33 -30.54 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -1.89 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.43 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' GLU . 2.4 p -88.49 10.94 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.342 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -44.48 -30.33 0.85 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.745 0.307 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -74.91 -34.25 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.4 mt-10 -90.29 -51.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.5 mt -52.5 -33.28 44.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 14.6 tt -63.01 -31.28 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.97 -32.18 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.46 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -72.69 -30.81 64.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -80.5 -43.84 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.64 -26.35 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.31 -40.55 81.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.09 77.08 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -76.77 -26.35 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.16 31.88 37.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.041 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -83.62 -22.42 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.711 0.291 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.73 -30.15 7.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.6 mp -130.77 147.14 52.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.5 mt -77.56 105.98 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.188 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.3 p -81.52 -176.3 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.27 -28.07 61.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.198 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.32 -30.06 48.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.01 -29.97 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -41.36 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.096 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -29.65 42.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -67.53 -38.65 84.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.08 -30.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.22 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -38.04 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 t -67.15 -35.86 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -21.09 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.04 44.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -146.51 127.29 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -90.32 115.88 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.15 135.27 51.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.4 168.81 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -68.3 -24.53 64.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.65 -35.35 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -72.63 -31.28 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.0 p -72.4 -31.87 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -33.97 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.52 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -43.29 97.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 26.8 mt -72.42 -33.7 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -30.44 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.88 -30.0 40.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.82 -30.82 21.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.08 96.15 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.41 -27.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -89.61 9.8 25.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.363 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.79 23.91 23.94 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.624 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.36 -20.46 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.652 0.263 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.26 -17.08 58.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.692 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -116.16 162.71 17.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.03 104.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.65 172.56 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -57.63 -46.19 84.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.48 81.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.6 -43.24 85.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.11 -32.76 71.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 28.5 t -69.87 -48.62 62.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -61.59 -38.58 88.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.2 tmm? -71.8 -34.64 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.4 mmt -64.57 -51.23 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.84 -25.08 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -55.4 126.1 23.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.872 0.367 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -123.18 -49.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.6 mttt -70.44 112.95 7.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.28 -46.89 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.07 -42.08 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.66 -41.11 89.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 29.3 t -60.3 -48.26 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -60.88 -30.8 70.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.03 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 15.2 mt -71.99 -38.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.9 t -59.33 -40.45 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.7 mm -80.08 -29.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -73.21 -35.35 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.88 76.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 31.3 t80 -87.92 -28.82 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -29.55 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -87.92 -35.66 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.17 -39.83 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.5 tp -75.54 -31.25 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -30.85 58.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 2.8 mttt -83.61 -45.78 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.0 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.95 139.2 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.0 p -127.55 138.35 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.8 133.51 55.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 26.8 pttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.874 0.368 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -158.53 139.58 13.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.07 -53.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.08 -23.97 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.969 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.8 -3.15 39.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.575 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.5 t -85.84 10.86 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.4 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.13 -30.63 0.79 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.693 0.282 . . . . 0.0 111.453 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.38 -34.1 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -90.22 -49.76 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 179.746 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -34.13 60.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 17.0 tt -61.91 -32.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.38 -31.54 70.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.66 -28.33 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.87 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -78.23 -49.34 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 11.3 p -59.31 -44.09 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -60.21 -52.32 65.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.08 83.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -30.17 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -78.9 -20.29 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.23 41.57 98.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -106.46 -21.98 12.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.38 -22.92 19.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.33 131.8 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -110.84 100.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -75.05 -179.61 4.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.3 -42.07 72.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.0 -29.97 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -85.19 -31.27 23.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.75 72.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.6 m -88.65 -29.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.63 -40.26 92.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -67.62 -38.97 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -36.3 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -20.98 64.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.71 36.94 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.8 139.13 39.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -101.83 125.87 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -137.48 138.06 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 m -82.87 170.79 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.64 -41.19 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.66 -36.51 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.71 -38.84 87.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.0 t -75.62 -42.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -30.38 64.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.95 -30.01 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.7 mtp -73.17 -32.16 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.5 mm -66.1 -46.14 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -61.16 -48.16 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.1 -29.31 70.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.23 -39.97 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.4 94.64 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.0 mt -81.44 -3.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.514 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.58 -20.26 13.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 111.383 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.25 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.165 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.81 -20.54 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.4 89.28 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.146 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -129.59 133.05 46.96 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.9 mt -76.09 100.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -172.54 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -67.98 -52.02 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.47 -31.33 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -74.86 -37.88 62.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -64.28 -42.58 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 30.8 m -67.45 -35.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -39.35 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.34 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -40.47 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.1 m -99.13 30.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -31.28 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.756 0.312 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -93.01 111.12 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 128.19 55.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.05 145.15 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.94 -30.64 15.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -36.74 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 24.0 t -75.62 -31.15 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.165 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.5 p -78.39 -30.78 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.95 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.96 -31.13 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.35 -35.14 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 22.1 mt -80.93 -30.96 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.199 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -47.58 38.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.93 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.61 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 27.4 t80 -62.74 -27.19 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -57.13 -35.92 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -77.37 -31.53 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.46 -31.62 62.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -30.63 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -38.24 64.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.33 73.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.37 118.9 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.7 t -112.82 -67.16 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -131.55 153.73 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.4 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 86' ' ' ILE . 20.5 mt-10 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 86' ' ' ILE . 9.9 pt-20 -58.01 -37.97 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.772 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -90.88 -48.0 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 85' ' ' LEU . 2.9 mt -53.59 -29.0 35.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 82' ' ' GLU . 16.2 tt -74.93 -30.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.8 tt0 -75.02 -32.92 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -67.05 -30.97 71.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -55.66 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -28.91 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.628 HG21 ' OH ' ' B' 1919 ' ' TYR . 26.9 t -82.49 -33.45 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.0 m-85 -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -76.49 92.88 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -72.19 -35.12 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -72.69 -20.28 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.14 28.38 72.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.536 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -96.22 -22.03 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.1 9.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.507 HD22 ' CB ' ' A' ' 135' ' ' HIS . 8.5 mt -146.81 129.95 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -103.99 123.24 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.02 -176.86 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.69 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.85 -28.29 36.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 108' ' ' VAL . 41.7 mt-10 -77.04 -43.84 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.43 -50.69 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -59.24 -30.4 68.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.24 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 92' ' ' PHE . 21.5 t -74.8 -38.39 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.64 -36.25 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.3 m -64.5 -49.22 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.5 -39.11 88.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.436 HD13 HG12 ' A' ' 108' ' ' VAL . 6.6 mp -66.71 -21.1 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.58 48.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -147.13 119.16 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -88.4 125.17 34.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -138.44 137.75 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -82.53 166.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -31.34 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.98 -41.97 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.24 -40.14 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 117' ' ' THR . 30.4 t -70.02 -49.17 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.96 -30.13 58.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.61 -29.59 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.8 mtp -78.95 -32.04 45.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.26 -45.19 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -41.31 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.84 -30.17 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.78 14.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 104.65 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.97 -29.26 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.89 -20.25 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.59 40.45 38.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -109.03 -20.51 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.24 30.81 7.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.507 ' CB ' HD22 ' A' ' 99' ' ' LEU . 49.5 m80 -150.27 141.95 23.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.32 117.72 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 -169.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -65.95 -49.91 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.85 -32.72 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -80.65 -32.33 36.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.6 -49.45 76.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.787 ' O ' HG23 ' A' ' 146' ' ' VAL . 21.5 t -63.75 -40.47 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.32 -48.92 79.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.551 ' SD ' HD13 ' B' 1912 ' ' ILE . 3.4 ttm -60.08 -38.26 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -31.45 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 142' ' ' VAL . 15.0 t -97.94 29.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.518 ' O ' HG23 ' B' 1911 ' ' VAL . 34.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 41.1 m -60.35 -32.04 70.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.24 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.994 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.59 -37.69 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -59.3 -36.95 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.551 HD13 ' SD ' ' A' ' 144' ' ' MET . 29.6 mt -84.15 -38.22 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -45.66 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.733 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.39 81.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 6.9 t80 -75.33 -32.17 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.48 -43.62 96.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -65.32 -39.36 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.628 ' OH ' HG21 ' A' ' 91' ' ' VAL . 69.1 t80 -60.66 -37.02 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.728 0.299 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.61 -25.57 15.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.716 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.51 -47.56 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.424 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 145' ' ' MET . 28.5 mt -69.7 -33.03 71.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.4 tt -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.199 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 91' ' ' VAL . 19.4 tt0 -69.28 -38.2 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.27 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.53 -41.77 95.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.75 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.769 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -78.63 -37.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -46.05 78.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.29 81.49 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -68.49 -22.67 64.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -69.22 -20.25 63.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.95 33.78 86.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -109.16 -21.92 12.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.86 -28.61 10.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' ' 135' ' ' HIS . 4.1 mp -107.91 131.76 54.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mt -98.79 122.51 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.1 p -89.01 -178.93 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.53 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.33 -35.43 77.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 108' ' ' VAL . 36.6 mt-10 -63.75 -39.75 95.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.74 -37.77 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 112' ' ' LEU . 21.5 t -82.18 -34.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.24 -35.18 80.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -70.63 -33.43 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -39.82 49.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 108' ' ' VAL . 8.8 mp -66.38 -21.09 66.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.44 42.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -134.13 134.32 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -117.46 114.1 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -133.94 147.9 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 121' ' ' VAL . 3.0 p -69.07 178.52 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.4 -47.19 77.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.22 -36.53 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.86 -35.41 78.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 116' ' ' LEU . 31.5 t -71.87 -48.34 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.86 -34.64 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.69 -32.98 74.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 mtm -73.8 -32.45 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 136' ' ' ILE . 32.4 mm -71.08 -44.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -32.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.74 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.52 30.9 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.67 102.94 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.34 -52.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -82.79 -20.15 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.37 36.04 69.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -89.69 -20.28 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.48 30.24 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.644 ' HB2' HD23 ' A' ' 99' ' ' LEU . 72.6 m80 -152.0 179.99 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 125' ' ' ILE . 22.8 mt -135.93 107.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.29 -176.17 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.4 t80 -60.63 -46.79 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.83 -30.92 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -69.99 -32.97 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.7 t -69.1 -32.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -82.33 -32.7 29.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.7 ttm -65.1 -45.25 85.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 85' ' ' LEU . 35.8 tpp -80.09 -45.17 18.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 146' ' ' VAL . 21.6 t -96.36 39.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.849 0.356 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.2 m -80.24 -21.76 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -86.11 -38.73 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.239 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.87 -38.81 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.477 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -58.55 -43.87 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.477 ' N ' HG13 ' B' 1911 ' ' VAL . 29.2 mt -60.51 -35.97 66.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.75 -34.56 64.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.84 -30.92 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.51 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 8.3 t80 -70.86 -31.05 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -59.75 -30.62 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.987 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -81.41 -31.54 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.49 -34.55 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -96.53 -21.29 17.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.304 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -86.81 -51.85 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 145' ' ' MET . 37.9 mt -63.34 -41.07 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 tt -59.29 -37.87 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.26 -43.27 74.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.4 -29.96 61.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.39 -36.62 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -70.75 -36.47 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -40.7 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -70.61 -44.56 67.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 86.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -72.55 -30.95 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.49 -20.23 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.4 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -109.59 -21.93 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.641 0.257 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.03 30.83 7.64 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -145.21 129.9 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.45 120.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -93.81 171.57 8.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.556 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -60.36 -30.3 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.81 -27.69 33.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -74.19 -30.56 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.668 HD23 HG13 ' A' ' 121' ' ' VAL . 7.4 tp -70.51 -55.01 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.85 -29.77 67.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -39.13 86.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.5 t -83.04 -32.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.39 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.21 -34.78 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -21.15 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -154.15 115.19 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -92.17 136.18 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.29 142.94 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.9 m -77.76 166.05 23.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.77 -38.48 78.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.41 -31.32 57.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.24 -33.47 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.668 HG13 HD23 ' A' ' 105' ' ' LEU . 21.8 t -86.47 -37.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 125' ' ' ILE . 5.3 t70 -60.27 -31.38 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.7 -37.46 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.501 ' SD ' HD11 ' B' 1912 ' ' ILE . 50.3 mtm -65.74 -35.63 81.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.7 mt -71.01 -33.66 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -31.46 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.38 -31.22 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -88.58 -39.99 13.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.96 114.0 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 mt -90.04 -37.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.86 -20.2 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.63 34.33 72.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.564 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -85.98 -20.35 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.33 28.63 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -155.66 139.08 15.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.5 mt -83.17 122.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.08 174.77 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 142' ' ' VAL . 88.6 t80 -63.76 -54.14 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -31.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -36.05 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -69.03 -30.61 69.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -64.92 -31.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -45.99 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 2.2 ttp -62.28 -48.98 77.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -62.05 -39.78 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 146' ' ' VAL . 14.9 t -98.41 32.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.043 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -31.02 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.89 69.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.33 -30.39 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.96 -37.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.501 HD11 ' SD ' ' A' ' 124' ' ' MET . 28.4 mm -83.49 -31.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.67 -30.82 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -79.07 -30.71 44.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.45 73.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -70.47 -29.19 65.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -46.68 85.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -29.68 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.0 -56.88 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.719 0.295 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.466 ' C ' HG22 ' A' ' 86' ' ' ILE . 6.7 pt-20 -96.37 -27.66 14.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.319 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -90.18 -55.4 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.219 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -58.45 -30.97 67.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 83' ' ' GLU . 14.7 tt -57.91 -38.87 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.9 -40.17 61.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.82 -30.77 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 26.2 t80 -64.09 -39.79 94.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.12 77.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.5 t -80.36 -33.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -34.07 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.0 83.46 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -65.48 -26.62 68.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -69.38 -20.26 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 32.41 80.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -105.03 -21.96 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.298 . . . . 0.0 111.159 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 -26.93 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.45 140.11 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.1 mt -116.84 122.9 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 p -88.81 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.97 56.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.04 -33.21 63.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.466 HD12 HD12 ' A' ' 136' ' ' ILE . 0.7 OUTLIER -71.68 -52.45 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 110' ' ' THR . 0.9 OUTLIER -59.72 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -36.16 78.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.34 -33.62 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.0 -44.84 87.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 106' ' ' ARG . 9.5 t -61.91 -35.04 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -38.88 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 32.51 2.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -125.74 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -96.79 115.2 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 114' ' ' GLU . 5.5 mp -130.66 156.0 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -96.06 168.37 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -44.63 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -32.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -52.74 48.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 117' ' ' THR . 22.5 t -63.65 -44.33 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.58 -39.27 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.06 -30.1 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -31.76 52.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 136' ' ' ILE . 33.9 mm -68.45 -37.4 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.59 -37.73 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.12 -31.49 71.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.527 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.88 -31.02 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 102.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.8 mt -86.98 -30.88 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.37 -20.23 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.74 40.53 45.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.48 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -97.16 -20.43 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.23 28.15 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -147.58 179.71 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 125' ' ' ILE . 32.8 mt -137.12 118.74 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.1 177.53 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.0 t80 -61.49 -39.97 92.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.83 -36.18 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.34 -31.43 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.8 -32.12 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 138' ' ' TYR . 26.4 t -74.98 -33.2 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -50.32 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.527 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 21.6 ttp -58.65 -39.49 80.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 145' ' ' MET . 35.3 tpp -60.97 -55.38 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 142' ' ' VAL . 16.1 m -97.56 39.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.512 ' HA ' HG22 ' B' 1911 ' ' VAL . 17.7 p -87.33 -4.89 59.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.475 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -79.88 -27.41 40.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.376 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 25.4 mm -87.55 -40.11 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' 1908 ' ' SER . 23.4 m -56.27 -30.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 21.9 mt -78.34 -47.09 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.204 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.94 -33.96 76.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -30.68 71.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.36 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 11.3 t80 -78.07 -28.38 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.05 86.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -73.12 -33.54 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.535 ' OH ' HG21 ' A' ' 91' ' ' VAL . 77.8 t80 -58.73 -30.0 67.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1920 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' 1920 ' ' LEU . 15.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -96.55 -27.08 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.62 -55.78 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.09 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.4 mt -57.75 -39.01 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.049 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.1 tt -59.62 -40.31 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 86' ' ' ILE . 1.8 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.73 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 1.5 t80 -60.03 -32.41 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -34.84 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.72 -34.99 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 108' ' ' VAL . 5.1 m-85 -69.86 -35.89 75.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 92.88 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.07 -36.34 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -94.2 -20.23 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.45 46.85 66.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -93.53 -21.81 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -26.49 9.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.52 139.79 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.46 144.6 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.37 -171.82 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.56 -32.78 36.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.14 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 125' ' ' ILE . 5.6 tp -69.68 -31.51 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -83.19 -27.13 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -29.7 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 92' ' ' PHE . 17.9 m -87.16 -28.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -36.42 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -66.14 -34.1 77.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -37.45 37.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -21.05 66.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.79 43.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.92 150.19 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' C ' HD22 ' A' ' 116' ' ' LEU . 2.9 mmpt? -113.46 116.83 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.5 mm? -126.32 140.03 52.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.6 m -85.35 168.42 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 117' ' ' THR . 5.4 p-10 -62.94 -40.89 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.7 -39.86 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.7 mt-10 -59.72 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 117' ' ' THR . 28.4 t -69.53 -47.79 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.98 -31.13 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -30.41 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -36.26 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.666 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.5 mm -68.73 -36.38 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.86 -47.21 87.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.16 -37.01 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -78.93 -35.47 43.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -64.32 102.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' A' ' 140' ' ' GLU . 35.5 mt -88.47 -30.63 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -87.39 -20.19 27.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.55 21.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.46 -20.41 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.05 -15.34 33.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.795 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -109.81 158.59 17.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.3 mt -108.92 139.67 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.29 173.22 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 142' ' ' VAL . 30.7 t80 -59.89 -40.65 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.1 -43.29 87.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' HG2' HD12 ' A' ' 130' ' ' ILE . 32.9 mt-10 -67.12 -34.21 77.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.26 -30.56 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -76.02 -31.88 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.02 -39.69 72.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 40.0 ttp -65.54 -56.64 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -64.43 -48.82 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 146' ' ' VAL . 19.1 t -96.97 38.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.673 ' O ' HG13 ' B' 1911 ' ' VAL . 25.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.4 m -78.89 -23.88 44.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.05 -32.85 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 27.5 pt -76.98 -38.56 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.384 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' 1907 ' ' VAL . 19.3 m -58.87 -40.79 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.419 HG12 HG23 ' B' 1911 ' ' VAL . 31.6 mm -77.2 -31.71 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -74.08 -48.42 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.86 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 3.9 t80 -66.04 -29.61 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -31.17 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -78.44 -35.48 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.72 -32.81 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -96.49 -22.18 17.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.572 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -85.36 -51.1 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.267 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -38.08 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.374 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.1 tt -58.32 -42.83 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.185 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.5 tt0 -67.55 -45.69 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.38 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -59.68 -40.32 87.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -41.36 78.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.35 -34.04 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.34 -53.79 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -71.48 83.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -69.34 -20.26 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.52 35.14 78.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.59 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -106.37 -22.02 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.86 -28.26 8.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.57 129.93 55.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.34 119.78 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.9 p -85.58 -174.62 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' HG11 ' A' ' 121' ' ' VAL . . . -74.3 -38.73 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -33.05 74.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 55.0 mt-10 -67.95 -36.08 79.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.432 HD23 ' CG ' ' A' ' 109' ' ' MET . 2.4 tt -65.69 -45.78 81.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 112' ' ' LEU . 25.7 t -79.48 -31.21 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.432 ' CG ' HD23 ' A' ' 105' ' ' LEU . 2.5 mmt -63.71 -42.54 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.9 m -65.06 -42.19 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -37.57 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.55 -21.07 65.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.19 41.23 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -144.55 135.26 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -114.94 127.47 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 121' ' ' VAL . 1.2 pt? -149.98 142.85 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -69.43 174.73 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.33 -37.7 78.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.16 -36.99 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 116' ' ' LEU . 27.1 t -71.95 -48.49 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -30.13 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.29 -34.88 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.2 mtm -73.54 -42.18 62.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.6 HD13 HD11 ' A' ' 136' ' ' ILE . 40.6 mm -64.08 -42.55 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -49.19 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.99 -36.26 80.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 144' ' ' MET . . . -77.83 -35.81 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.79 101.89 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -87.91 -28.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -92.26 13.44 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.14 25.24 17.48 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.679 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.73 -20.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.599 0.237 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.33 -13.66 64.58 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.801 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -112.31 155.28 24.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.889 0.376 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 125' ' ' ILE . 31.2 mt -96.58 105.05 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.96 -177.59 5.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.733 ' O ' HG23 ' A' ' 142' ' ' VAL . 24.5 t80 -64.13 -44.62 91.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -38.6 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.54 -30.72 68.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.99 -30.6 65.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 138' ' ' TYR . 25.7 t -69.45 -37.08 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -77.73 -34.92 52.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 128' ' ' ALA . 1.2 ttm -64.4 -61.66 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 11.9 tpp -63.61 -46.5 85.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 146' ' ' VAL . 4.8 t -96.04 39.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -73.16 -24.85 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.514 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -85.89 -34.03 21.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.46 -44.64 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' 1912 ' ' ILE . 12.2 p -58.69 -43.08 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' 1909 ' ' ALA . 27.6 mt -60.1 -46.74 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.55 -44.62 81.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.63 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -74.03 -29.12 61.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -58.32 -30.27 66.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -32.63 26.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.1 t80 -62.25 -31.23 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.766 0.317 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.39 -22.8 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.422 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.6 -56.04 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 111.059 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD22 ' HG3' ' A' ' 145' ' ' MET . 29.6 mt -58.55 -40.21 82.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 tt -59.94 -34.99 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -76.73 -46.62 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -59.22 -30.46 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -45.1 96.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -62.67 -34.45 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.62 -36.79 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.8 -48.41 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -65.69 86.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -70.23 -31.61 69.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -75.15 -20.2 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.43 95.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -109.55 -21.88 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 -10.89 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 11.1 mt -114.22 134.05 55.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mt -107.75 117.64 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 168.08 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.64 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 106' ' ' ARG . . . -63.55 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.596 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 33.2 mt-10 -85.75 -22.5 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.23 -11.52 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.664 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 103' ' ' ALA . 1.8 ppt_? -89.84 -32.99 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.248 . . . . 0.0 111.353 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.79 ' CE1' HG13 ' A' ' 108' ' ' VAL . 4.0 p80 -75.53 -30.67 59.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.816 0.341 . . . . 0.0 111.062 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.79 HG13 ' CE1' ' A' ' 107' ' ' HIS . 19.5 m -75.0 -34.42 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' 1911 ' ' VAL . 0.0 OUTLIER -72.6 -30.98 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.7 m -68.71 -36.81 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.5 -39.38 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 108' ' ' VAL . 5.0 mp -64.77 -21.15 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.05 50.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.93 162.92 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 121.45 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.759 HD12 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -150.0 146.05 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -82.03 172.92 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . 0.5 OUTLIER -59.07 -43.97 91.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.1 -40.79 95.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -34.44 76.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG22 HD12 ' A' ' 116' ' ' LEU . 21.4 t -73.08 -46.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -29.99 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -29.92 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 116' ' ' LEU . 23.3 mtm -79.34 -39.34 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 136' ' ' ILE . 35.6 mm -68.26 -39.84 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -64.59 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.03 -30.83 58.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -86.19 -39.18 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.1 108.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.98 -32.03 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -73.47 -20.2 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 43.82 63.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -109.0 -20.27 13.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.278 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.48 -25.07 14.15 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 38.4 m80 -109.86 137.02 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 125' ' ' ILE . 29.6 mt -88.35 125.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.42 -170.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 142' ' ' VAL . 84.1 t80 -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.39 -31.35 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.25 -31.92 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.16 -31.08 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.7 t -67.9 -51.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.42 -30.74 68.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 3.3 tmm? -75.38 -41.78 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.538 ' HG3' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -67.04 -51.5 53.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 142' ' ' VAL . 21.1 m -98.42 33.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' 1911 ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -60.35 -34.87 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -68.42 -36.13 78.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.45 -37.84 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -56.6 -29.66 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.285 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.8 mm -88.7 -29.3 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -81.23 -32.91 33.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -41.67 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.55 76.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 16.2 t80 -61.07 -30.32 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -37.76 77.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -69.9 -31.02 68.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.77 -35.56 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.807 0.337 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -85.68 -20.13 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.505 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -86.2 -48.01 8.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.184 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 145' ' ' MET . 37.8 mt -70.0 -39.28 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.219 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -56.89 -35.45 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.25 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -74.14 -30.87 62.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -76.13 -30.31 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CD1' HD11 ' A' ' 100' ' ' ILE . 11.9 t80 -59.95 -39.72 86.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -63.24 -43.63 97.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -46.82 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.23 -42.37 93.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.95 92.92 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -69.14 -42.34 76.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -84.65 -20.17 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.22 33.2 84.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.563 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -79.7 -21.94 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.574 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 108.14 24.91 6.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 98' ' ' GLY . 3.3 mp -161.15 162.47 31.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.41 HD11 ' CD1' ' A' ' 89' ' ' PHE . 31.7 mt -126.47 107.47 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.7 p -85.14 175.11 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.466 ' HB2' HG13 ' A' ' 125' ' ' ILE . . . -64.96 -42.52 94.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.22 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.2 mt-10 -79.13 -34.11 43.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.43 -48.04 52.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -61.88 -32.95 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -39.03 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 104' ' ' GLU . 27.6 t -79.26 -33.65 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.38 -36.67 83.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.7 m -64.01 -41.7 97.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.3 -31.96 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.6 OUTLIER -67.79 -21.04 65.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.42 37.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 118.72 10.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 122.11 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.44 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 2.9 mp -141.26 121.42 13.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.55 179.99 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.4 -21.91 57.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -42.71 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.16 -32.89 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.01 -37.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -35.15 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -30.83 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CD2' ' A' ' 116' ' ' LEU . 1.8 mtm -77.49 -42.93 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 136' ' ' ILE . 43.3 mm -61.96 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -61.47 -36.75 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -30.62 71.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.63 -28.51 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.422 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -69.59 91.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.4 mt -78.04 -30.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -84.18 -20.28 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.57 45.92 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.18 -20.37 12.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.58 28.56 8.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -149.77 140.39 22.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.474 HD11 HD13 ' A' ' 125' ' ' ILE . 25.6 mt -94.87 126.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.63 169.23 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.838 ' O ' HG23 ' A' ' 142' ' ' VAL . 25.0 t80 -59.28 -33.54 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.54 -31.5 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.56 -38.13 34.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.96 -31.46 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -66.51 -51.36 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -60.16 -34.42 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -49.96 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.414 ' HG2' HD21 ' A' ' 85' ' ' LEU . 1.4 tpt -62.58 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.2 m -98.33 32.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.697 ' O ' HG23 ' B' 1911 ' ' VAL . 11.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 58.8 m -87.04 -28.25 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.05 -35.31 61.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.23 -32.91 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' 1907 ' ' VAL . 37.4 t -67.46 -44.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.6 -35.59 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -33.37 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -69.45 -43.31 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -63.05 -45.49 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 10.1 t80 -66.76 -29.49 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.13 -34.97 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.14 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.24 -39.01 85.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.789 0.328 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mm-40 -74.79 -34.39 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.07 -50.46 5.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.05 -33.92 54.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -59.55 -31.74 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.4 tt0 -68.57 -35.85 77.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -63.77 -35.77 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.24 -40.27 96.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -67.48 -35.94 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 87' ' ' GLU . 27.3 t -69.18 -32.6 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.649 ' HA ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -79.84 -31.04 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.36 92.95 8.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -74.78 -37.11 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -69.48 -20.22 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.48 33.76 82.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.427 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -100.78 -21.91 15.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.5 26.63 5.3 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.573 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 135' ' ' HIS . 6.6 mt -161.28 130.35 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -99.14 131.79 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -170.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -73.0 -38.34 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.26 72.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.638 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -65.85 -52.23 52.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.4 -44.04 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -36.71 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -44.79 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 92' ' ' PHE . 31.4 t -67.78 -36.56 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.77 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 m -71.57 -40.0 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.8 -43.12 66.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.462 HD13 HG12 ' A' ' 108' ' ' VAL . 6.3 mp -60.69 -21.03 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.58 34.36 2.88 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.71 152.74 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 141.41 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -144.89 149.98 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.1 p -78.4 168.83 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.78 -37.68 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.73 -31.25 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -37.34 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 117' ' ' THR . 34.9 t -70.84 -41.83 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.69 -30.28 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -40.0 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 ttm -61.62 -44.46 96.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 102' ' ' ALA . 24.8 mt -69.71 -39.17 77.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.64 -27.88 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.01 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 -30.74 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.294 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 103.65 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.503 HD12 ' CG ' ' A' ' 140' ' ' GLU . 4.9 mt -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.31 -20.27 34.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.74 54.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -92.01 -20.38 21.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.36 -24.48 25.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.514 ' CB ' HD22 ' A' ' 99' ' ' LEU . 8.9 m80 -109.83 143.3 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.483 ' O ' HD23 ' A' ' 99' ' ' LEU . 14.5 mt -82.8 131.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -101.5 175.7 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -59.94 -55.2 37.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.12 -40.21 80.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.503 ' CG ' HD12 ' A' ' 130' ' ' ILE . 13.8 mt-10 -60.12 -41.71 93.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -60.01 -31.86 70.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.89 -35.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.491 ' HG3' HD11 ' A' ' 130' ' ' ILE . 11.4 mmt180 -66.56 -37.02 84.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.652 ' SD ' HD13 ' B' 1912 ' ' ILE . 24.8 ttm -61.45 -49.18 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -48.87 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 146' ' ' VAL . 12.6 t -100.57 34.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.422 ' O ' HG13 ' B' 1911 ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 75.0 m -86.89 -22.7 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.01 -28.93 22.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -30.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.502 HG23 HG13 ' B' 1912 ' ' ILE . 26.6 m -74.98 -29.47 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.652 HD13 ' SD ' ' A' ' 144' ' ' MET . 24.7 mt -85.57 -31.0 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.69 -35.19 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -68.08 -31.83 71.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.02 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.574 ' CE2' HD11 ' B' 1920 ' ' LEU . 38.1 t80 -80.19 -30.66 38.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.6 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -76.46 -33.13 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.82 -34.3 73.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1920 ' ' LEU . . . . . 0.574 HD11 ' CE2' ' B' 1916 ' ' TYR . 30.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.739 0.305 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.1 pt-20 -74.61 -34.48 62.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.27 -50.72 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 145' ' ' MET . 8.3 mt -53.01 -33.56 52.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -60.82 -31.67 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -72.4 -31.12 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.96 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -69.52 -31.43 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -53.73 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 -25.68 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 108' ' ' VAL . 1.4 m-85 -75.65 -36.22 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.04 89.45 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.02 -36.82 69.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.52 -20.17 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.59 36.26 91.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -107.7 -21.97 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.701 0.286 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.56 -22.02 13.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.611 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.0 mt -106.37 147.2 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.3 mt -122.48 109.71 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.76 176.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.26 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.37 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.9 mt-10 -80.41 -45.44 17.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 125' ' ' ILE . 5.6 tp -58.41 -47.39 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -29.69 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -76.64 -33.12 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 112' ' ' LEU . 21.4 t -76.84 -47.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.1 -29.27 65.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 m -62.99 -65.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -60.23 -30.19 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.959 HD23 ' HB1' ' B' 1915 ' ' ALA . 1.0 OUTLIER -64.7 -21.06 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 31.52 4.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' OE2' HG13 ' B' 1911 ' ' VAL . 0.9 OUTLIER -140.5 114.48 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' C ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -85.73 118.76 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.513 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.5 mp -126.93 137.61 53.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -77.87 167.92 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 117' ' ' THR . 1.6 m-20 -60.32 -40.07 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.03 -34.77 57.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.2 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 117' ' ' THR . 22.0 t -85.33 -43.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -29.14 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -30.01 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.711 ' HE2' HD11 ' B' 1912 ' ' ILE . 1.5 mtp -72.07 -40.62 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 136' ' ' ILE . 41.0 mm -64.12 -42.46 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.02 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.58 -30.38 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' HD12 ' A' ' 136' ' ' ILE . . . -87.86 -27.95 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 105.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 mt -87.87 -30.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -88.79 -20.33 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 45.33 58.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -110.28 -20.38 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.658 0.266 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.85 32.92 4.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -156.83 145.38 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.647 HD11 HG23 ' A' ' 125' ' ' ILE . 31.8 mm -95.85 115.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -96.94 172.07 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -59.52 -32.02 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -25.25 56.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -89.46 -28.41 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -71.67 -30.77 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.07 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 143' ' ' ARG . 10.8 p -73.17 -41.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 142' ' ' VAL . 16.2 mmm180 -65.96 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.64 -32.08 71.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.44 ' HG2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -67.6 -43.08 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.39 -31.58 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.697 ' HA ' HD12 ' B' 1910 ' ' ILE . 21.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 45.2 p -73.27 -30.87 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -71.07 -31.19 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.697 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.3 mt -70.17 -30.75 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 114' ' ' GLU . 21.4 t -65.33 -42.43 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.711 HD11 ' HE2' ' A' ' 124' ' ' MET . 24.9 mm -78.33 -31.01 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -75.31 -35.82 61.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1914 ' ' ARG . . . . . 0.412 ' HG3' HG22 ' B' 1910 ' ' ILE . 3.2 mtp180 -71.8 -39.25 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.959 ' HB1' HD23 ' A' ' 112' ' ' LEU . . . -63.34 -45.63 90.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 28.3 t80 -64.13 -29.95 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -41.82 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -28.22 59.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 39.8 t80 -57.65 -43.02 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.697 0.284 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 86' ' ' ILE . 49.7 mt-10 -74.76 -34.66 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.11 -50.37 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.26 -33.32 52.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.6 tt -60.63 -31.58 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.18 -31.55 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.87 68.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -36.71 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 m -64.85 -34.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.93 -37.28 81.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.2 92.9 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.27 -54.16 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -74.05 -20.23 60.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.84 60.67 7.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.654 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.87 6.64 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.78 -24.55 27.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.272 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 155.76 41.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -96.31 93.8 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.85 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.73 87.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.13 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 109' ' ' MET . 3.1 tt -74.97 -50.7 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -31.36 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -46.26 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.69 -34.18 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.468 ' CG ' HD23 ' A' ' 105' ' ' LEU . 5.0 mmt -60.73 -47.62 85.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 m -64.83 -36.04 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.17 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.27 -21.01 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.33 46.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.81 123.95 10.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -82.92 122.89 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 mp -139.4 133.89 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.1 p -92.18 172.81 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' A' ' 121' ' ' VAL . 8.1 t70 -71.08 -26.12 62.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -36.21 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.97 -31.48 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.627 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 118' ' ' ASP . 11.0 p -73.73 -31.24 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -36.74 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 116' ' ' LEU . 3.1 mtp -64.57 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 129' ' ' ASP . 23.0 mt -81.01 -36.68 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -49.9 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.18 29.05 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.473 ' OD1' HG22 ' A' ' 125' ' ' ILE . 1.1 m-20 -115.77 101.44 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 140' ' ' GLU . 8.2 mt -73.85 -37.5 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -96.15 -20.22 18.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.52 81.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.48 -20.44 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.649 0.261 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.44 28.98 4.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -156.27 173.13 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.0 mt -123.03 130.3 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 177.69 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 53.8 t80 -60.27 -39.68 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.38 -40.82 96.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.519 ' HG3' HD12 ' A' ' 130' ' ' ILE . 30.8 mt-10 -65.45 -36.19 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -38.6 91.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 24.3 t -70.38 -47.75 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.43 -40.47 91.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.505 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.7 ttm -62.2 -43.27 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mmt -60.33 -36.85 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.0 m -104.59 31.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.737 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.3 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 -33.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.44 58.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.737 HD12 ' HA ' ' B' 1907 ' ' VAL . 30.7 mt -71.39 -30.51 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.21 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -69.14 -31.53 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.72 -31.17 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -79.4 -36.97 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.49 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.49 -27.81 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -57.41 -47.31 82.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.83 -31.92 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 32.1 t80 -63.02 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 86' ' ' ILE . 17.5 tt0 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.721 0.296 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.54 -33.76 75.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.42 -52.37 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.74 -37.94 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 82' ' ' GLU . 7.0 tt -57.26 -40.48 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.199 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.0 mt-10 -61.95 -37.65 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -51.98 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -59.39 -36.8 66.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.4 -45.09 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -79.56 84.93 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -64.5 -27.45 68.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.48 -20.13 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.63 35.21 90.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.602 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -109.24 -21.93 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.2 -27.47 10.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.453 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.4 129.9 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.13 138.07 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.03 177.34 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.34 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.13 65.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -77.43 -30.75 53.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tp -73.68 -48.0 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -63.56 -30.4 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -35.26 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 105' ' ' LEU . 11.2 p -87.69 -31.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -43.27 93.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.3 t -62.72 -41.25 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.82 -41.82 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.1 -21.04 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.0 49.99 0.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -153.05 121.59 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.713 ' C ' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.96 117.6 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.863 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.1 mm? -125.85 150.85 47.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 121' ' ' VAL . 7.2 p -84.28 166.4 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -42.44 85.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.6 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 117' ' ' THR . 22.9 t -69.07 -47.54 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.69 -36.73 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.96 -29.09 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.38 -35.79 46.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 136' ' ' ILE . 38.5 mm -66.57 -40.72 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -71.2 -36.64 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.58 -30.5 65.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -91.5 -40.03 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.11 86.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.15 -21.64 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.302 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -20.25 65.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.76 92.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -110.81 -19.32 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 111.211 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.62 -25.97 12.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -110.0 133.03 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 125' ' ' ILE . 14.6 mt -82.02 137.0 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -171.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -75.44 -33.44 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -31.23 49.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.97 -33.8 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.66 -44.44 96.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 146' ' ' VAL . 12.2 m -63.47 -31.0 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -31.02 70.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 33.5 ttp -78.45 -35.7 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.56 75.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 142' ' ' VAL . 21.9 m -94.64 -25.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.258 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.587 ' O ' HG23 ' B' 1911 ' ' VAL . 25.3 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1908 ' ' SER . . . . . 0.434 ' N ' HG23 ' B' 1907 ' ' VAL . 1.3 m -63.16 -36.65 84.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1909 ' ' ALA . . . . . 0.591 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -62.17 -40.66 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.249 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.4 mm -65.72 -36.74 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' 1907 ' ' VAL . 22.5 t -58.43 -32.68 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.591 HD12 ' HA ' ' B' 1909 ' ' ALA . 4.9 mt -78.81 -37.5 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -75.63 -31.41 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.99 -42.68 80.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.91 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.93 -30.71 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.18 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -32.05 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -68.22 -44.98 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.783 0.325 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.6 pt-20 -59.69 -32.52 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 110.701 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.39 -45.42 9.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.31 -30.94 63.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.1 tt -59.14 -32.12 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 91' ' ' VAL . 38.6 mt-10 -68.22 -36.84 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.55 -34.46 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -65.83 -31.36 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -72.13 -38.88 69.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.6 t -67.08 -44.77 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD2' HG11 ' A' ' 108' ' ' VAL . 6.4 m-85 -60.2 -32.28 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.97 92.8 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -42.01 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -70.56 -20.28 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.97 38.6 96.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.565 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -103.97 -21.87 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.671 0.272 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.72 8.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -108.18 132.58 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.0 mt -99.72 136.56 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.16 178.67 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.592 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -65.37 -40.53 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.92 -30.86 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -74.52 -42.54 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -33.81 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HG3' HG21 ' A' ' 121' ' ' VAL . 1.3 ttm180 -78.63 -30.81 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -70.16 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.3 p -76.74 -33.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.503 ' SD ' HD13 ' A' ' 116' ' ' LEU . 3.6 mtt -65.25 -46.99 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.512 HG23 ' HE2' ' A' ' 115' ' ' LYS . 53.3 m -61.36 -37.02 81.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.44 -40.24 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.02 -20.99 65.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.03 47.2 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.0 105.71 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -80.46 127.07 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.503 HD13 ' SD ' ' A' ' 109' ' ' MET . 4.2 mp -140.75 140.23 34.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 121' ' ' VAL . 38.2 p -78.52 168.13 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.78 -45.63 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.96 93.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.02 -44.38 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 117' ' ' THR . 20.6 t -66.61 -49.41 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.527 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -58.67 -31.22 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.01 -31.97 69.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.64 ' HG2' HD11 ' B' 1912 ' ' ILE . 5.6 mtp -76.88 -33.18 57.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 102' ' ' ALA . 19.6 mt -72.24 -47.98 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -56.99 -39.24 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.88 -30.94 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.64 30.82 6.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.462 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -111.05 93.26 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.41 HD12 ' HG2' ' A' ' 140' ' ' GLU . 25.6 mt -74.19 -30.96 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -88.89 -20.24 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.03 44.72 90.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -110.41 -20.33 12.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 109.11 -5.34 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.804 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -109.97 164.73 12.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.95 122.84 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -97.56 167.32 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.3 t80 -58.24 -39.41 79.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.38 -33.74 75.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 130' ' ' ILE . 46.2 mt-10 -75.01 -32.45 61.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.71 -40.37 95.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -60.48 -46.08 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -32.89 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.631 ' SD ' HD13 ' B' 1912 ' ' ILE . 8.0 ttm -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -43.36 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 15.7 m -99.69 30.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' 1911 ' ' VAL . 18.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -83.3 -23.42 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.38 -28.3 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.69 -30.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.348 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.734 HG13 ' O ' ' B' 1907 ' ' VAL . 30.0 m -68.96 -37.07 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.64 HD11 ' HG2' ' A' ' 124' ' ' MET . 42.6 mt -74.28 -42.51 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.48 -36.49 84.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.94 -36.48 84.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.538 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 6.6 t80 -73.86 -30.0 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -48.92 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -59.48 -33.84 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 -55.21 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.701 0.286 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -74.91 -33.78 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.51 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.744 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.431 HD23 ' OH ' ' B' 1916 ' ' TYR . 9.1 mt -52.67 -35.4 55.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.3 tt -64.29 -44.22 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 86' ' ' ILE . 16.4 tt0 -61.09 -32.14 71.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.41 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -65.32 -31.06 72.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -53.05 16.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 m -63.96 -31.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG11 ' A' ' 108' ' ' VAL . 1.1 m-85 -70.06 -46.24 65.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.34 91.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -69.94 -33.29 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.01 -20.25 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.81 36.99 93.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -109.71 -21.84 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.53 -19.68 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.716 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.34 139.97 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.08 129.72 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 p -101.33 -177.66 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.02 -52.0 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.91 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -64.98 -55.03 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -35.94 82.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -35.21 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -40.3 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.579 HG12 HD13 ' A' ' 112' ' ' LEU . 28.4 t -76.16 -32.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.9 -40.93 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.63 HG23 ' HE3' ' A' ' 115' ' ' LYS . 58.9 m -64.66 -36.83 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.81 -39.47 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 108' ' ' VAL . 3.6 mp -65.14 -21.01 66.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.583 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.41 109.94 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.63 ' HE3' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -82.0 112.68 19.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.1 mm? -112.87 149.9 32.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -89.02 169.71 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.36 -39.2 93.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -75.36 -34.97 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.6 mm-40 -63.36 -51.57 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 117' ' ' THR . 25.3 t -60.09 -46.7 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -59.48 -30.87 68.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -75.51 -36.76 60.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.498 ' SD ' HD11 ' B' 1912 ' ' ILE . 2.9 mtm -67.97 -31.16 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' A' ' 102' ' ' ALA . 20.1 mt -82.72 -37.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -33.09 66.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -78.68 -29.81 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.3 31.17 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.29 93.17 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.5 mt -77.92 -34.6 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -82.43 -20.25 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.17 74.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -90.48 -20.42 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.71 28.35 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -156.0 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.494 ' CG1' HG23 ' A' ' 125' ' ' ILE . 31.3 mt -95.34 124.08 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -99.38 174.25 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.1 t80 -60.21 -39.56 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.62 -35.77 75.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.49 -36.37 57.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.15 -32.03 70.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 138' ' ' TYR . 30.8 t -73.53 -32.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -73.4 -37.38 65.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -72.2 -38.88 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.44 -31.35 72.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 142' ' ' VAL . 34.7 m -87.44 -34.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.448 ' O ' HG22 ' B' 1911 ' ' VAL . 29.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -81.66 -26.48 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -84.97 -33.91 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.411 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.457 HD12 ' N ' ' B' 1911 ' ' VAL . 2.5 pp -71.04 -38.89 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.395 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.457 ' N ' HD12 ' B' 1910 ' ' ILE . 3.4 m -62.29 -37.8 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.498 HD11 ' SD ' ' A' ' 124' ' ' MET . 41.2 mt -77.38 -30.44 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -34.75 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -74.83 -46.79 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.68 69.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.815 ' CZ ' HD11 ' B' 1920 ' ' LEU . 31.3 t80 -80.87 -31.32 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.99 -35.75 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 44.5 mtt85 -72.66 -38.11 67.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 44.0 t80 -60.51 -30.98 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1920 ' ' LEU . . . . . 0.815 HD11 ' CZ ' ' B' 1916 ' ' TYR . 8.2 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.019 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -96.47 -20.33 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.346 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -86.58 -36.12 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.06 -32.62 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.9 tt -59.02 -44.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.202 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' N ' HG23 ' A' ' 86' ' ' ILE . 17.0 mt-10 -69.78 -34.0 73.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.803 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -78.74 -27.05 44.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -74.68 -30.18 61.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -80.59 -39.12 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -69.85 -30.47 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.635 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.8 m-85 -60.07 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -64.88 93.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -42.13 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -69.4 -20.24 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.212 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 47.19 92.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -86.32 -11.37 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -27.01 9.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.59 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.1 179.94 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.75 98.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 p -78.23 -168.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.75 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.79 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.19 -40.48 94.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.59 -31.06 70.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -30.58 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 110' ' ' THR . 0.1 OUTLIER -65.07 -40.89 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.673 ' O ' HD23 ' A' ' 112' ' ' LEU . 15.6 m -78.63 -29.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.635 ' HE3' HG12 ' B' 1911 ' ' VAL . 4.4 mmt -69.0 -33.5 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 107' ' ' HIS . 7.9 t -75.14 -31.0 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.6 -35.17 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 108' ' ' VAL . 3.6 mm? -66.62 -21.06 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 47.93 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -152.75 119.67 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.29 143.41 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.88 HD21 HG11 ' B' 1911 ' ' VAL . 19.8 mt -148.85 133.56 17.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 121' ' ' VAL . 65.6 p -69.85 179.51 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.01 -31.12 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -40.25 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.73 -39.76 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 117' ' ' THR . 29.1 t -74.98 -49.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.13 -32.26 54.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -29.93 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.478 ' HG2' HD11 ' B' 1912 ' ' ILE . 2.9 mtp -75.86 -34.69 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.64 -46.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -44.37 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.198 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.98 -28.47 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.074 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 144' ' ' MET . . . -86.58 -27.03 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.381 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 72.55 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -60.35 -27.0 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.962 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.67 71.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.236 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.71 -20.49 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.597 0.237 . . . . 0.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.31 -21.52 35.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.865 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -109.73 129.82 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 144' ' ' MET . 33.9 mt -76.23 103.61 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.84 -177.46 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 142' ' ' VAL . 49.3 t80 -62.31 -42.31 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -43.89 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.08 -36.19 83.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -63.77 -30.4 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.1 t -65.35 -51.08 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.76 69.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.483 ' HE3' HD13 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -73.84 -49.46 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.4 mmt -59.96 -58.3 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 5.3 m -97.1 37.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.45 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.94 -42.47 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.88 HG11 HD21 ' A' ' 116' ' ' LEU . 21.5 t -59.57 -32.73 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.478 HD11 ' HG2' ' A' ' 124' ' ' MET . 13.5 mt -80.15 -36.28 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -31.5 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -50.58 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.43 -32.44 70.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 9.0 t80 -84.06 -28.41 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -58.4 -38.83 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -77.7 -32.82 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.7 -56.12 25.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.24 -23.13 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.594 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.65 -56.94 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 111.158 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 142' ' ' VAL . 36.6 mt -57.77 -39.71 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.247 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.6 tt -57.01 -42.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.222 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' ILE . 3.5 tt0 -66.34 -36.43 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.71 -31.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.32 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.42 -45.0 92.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.4 t -72.14 -29.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -50.97 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 76.26 7.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.53 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -69.21 -19.9 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.407 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.19 38.14 22.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.83 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -22.33 18.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.735 0.303 . . . . 0.0 111.158 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 -30.24 8.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.416 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.3 OUTLIER -134.06 130.98 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.575 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 104' ' ' GLU . 2.9 mp -79.67 119.43 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -164.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.73 -26.17 57.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.96 -28.75 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 100' ' ' ILE . 26.4 mt-10 -75.84 -41.34 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 136' ' ' ILE . 1.3 tt -58.61 -52.35 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -29.69 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -41.55 88.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.47 -31.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.9 mmm -69.38 -39.7 77.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.1 m -69.71 -37.65 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -41.79 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.76 -21.07 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.93 44.3 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 108.56 4.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 142.03 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -148.31 124.98 11.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 121' ' ' VAL . 58.7 p -61.82 174.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.04 -32.32 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -43.38 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.11 -46.02 91.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 117' ' ' THR . 28.5 t -64.67 -50.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -36.73 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.32 -29.09 70.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 mtp -81.96 -34.53 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.738 HG22 ' OD2' ' A' ' 129' ' ' ASP . 38.8 mm -64.91 -41.45 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -65.91 -42.68 89.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.5 -31.22 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -89.19 -31.55 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.738 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.7 OUTLIER -64.63 103.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 140' ' ' GLU . 33.5 mt -88.05 -30.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.14 -20.16 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.49 40.78 26.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 -20.37 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.706 0.288 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.68 32.26 6.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.623 ' HB3' HD13 ' A' ' 99' ' ' LEU . 46.1 m80 -148.36 145.56 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 125' ' ' ILE . 4.5 mt -106.24 121.27 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.17 -175.51 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.1 t80 -65.76 -38.43 89.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -39.3 87.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.406 ' HG2' HD12 ' A' ' 130' ' ' ILE . 25.5 mt-10 -75.49 -31.48 60.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.9 t -76.09 -37.63 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -49.0 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 47.4 ttp -66.24 -34.87 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.0 mmt -61.5 -51.92 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.2 m -98.08 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.94 -27.65 69.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -83.43 -26.93 29.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.69 -45.98 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.311 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -57.84 -36.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.347 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.91 -50.85 50.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -62.47 -31.09 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.48 81.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.55 -29.44 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -45.24 90.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.55 -30.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1919 ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 91' ' ' VAL . 52.7 t80 -59.37 -53.53 57.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.706 0.289 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 86' ' ' ILE . 80.6 mt-10 -49.0 -30.53 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.994 0.426 . . . . 0.0 110.893 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.77 -38.2 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD23 ' OH ' ' B' 1916 ' ' TYR . 13.8 mt -54.7 -24.63 22.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.699 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 83' ' ' GLU . 12.1 mt -63.05 -42.29 96.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.33 -32.76 68.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.75 -38.34 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.04 -30.72 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.38 -52.89 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 92' ' ' PHE . 28.5 m -60.24 -45.11 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.21 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 91' ' ' VAL . 5.1 m-85 -59.54 -47.18 86.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.45 92.37 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -75.45 -31.21 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -78.73 -20.11 50.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 41.8 98.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.75 -21.82 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.708 0.289 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -22.23 13.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.64 129.85 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 136' ' ' ILE . 18.9 mt -101.92 99.53 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.1 p -71.82 176.36 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.662 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.56 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.94 93.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.81 -31.26 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.1 -31.43 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -31.68 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 92' ' ' PHE . 23.2 m -84.16 -32.86 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.4 mmt -65.13 -38.8 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -34.04 29.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.92 -21.0 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.17 44.61 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.38 149.91 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 131.57 54.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.09 149.31 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.4 m -97.55 170.69 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' H ' HG22 ' A' ' 117' ' ' THR . 0.2 OUTLIER -61.62 -39.76 92.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -41.93 68.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.03 -49.21 78.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -62.75 -48.92 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -59.93 -38.23 81.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.756 ' HG2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -70.28 -35.19 73.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.709 HG22 ' OD2' ' A' ' 129' ' ' ASP . 21.2 mt -73.93 -40.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -34.44 74.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -31.43 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.18 31.29 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.709 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.78 99.21 8.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.45 -31.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.38 -20.17 22.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.74 85.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.67 -20.41 12.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.68 39.27 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -149.06 148.75 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 mt -111.0 102.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.24 -176.72 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.4 t80 -66.1 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -31.23 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -84.32 -31.51 24.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -63.02 -32.01 73.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 138' ' ' TYR . 27.5 t -74.08 -39.4 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -68.02 -44.45 76.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.576 ' SD ' HD13 ' B' 1912 ' ' ILE . 1.6 ttm -59.82 -41.65 91.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 146' ' ' VAL . 17.9 t -109.25 33.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.752 ' O ' HG23 ' B' 1911 ' ' VAL . 21.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.6 m -75.79 -27.67 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.84 -47.78 35.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.3 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 pt -57.46 -28.21 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.376 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' 1907 ' ' VAL . 25.4 t -62.79 -45.28 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.756 HD11 ' HG2' ' A' ' 124' ' ' MET . 3.7 mt -71.88 -35.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -43.43 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -42.18 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.88 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.56 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 17.4 t80 -70.42 -31.18 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 25.7 t80 -64.05 -43.71 94.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1920 ' ' LEU . . . . . 0.423 HD11 ' CE2' ' B' 1916 ' ' TYR . 3.2 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.812 0.339 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 86' ' ' ILE . 11.9 pt-20 -75.12 -33.51 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.39 -50.55 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.04 -35.17 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 83' ' ' GLU . 10.3 tt -61.17 -34.06 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -67.96 -31.55 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -68.28 -34.4 76.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.74 -43.29 94.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.4 58.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.94 -38.96 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 108' ' ' VAL . 1.3 m-85 -63.97 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 91.08 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -40.82 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.55 -20.33 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.69 28.11 73.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.81 -21.87 17.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.314 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 24.84 5.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 135' ' ' HIS . 13.3 mt -146.88 145.12 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.04 112.59 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 t -89.23 -179.63 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -71.57 -34.29 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.77 -30.3 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 108' ' ' VAL . 33.7 mt-10 -79.47 -31.36 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -72.25 -37.45 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -28.53 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -39.34 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 92' ' ' PHE . 29.8 m -81.76 -30.37 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mmt -72.04 -43.11 65.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 t -59.94 -36.73 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.71 -39.59 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -20.96 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.13 48.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' HB2' ' B' 1915 ' ' ALA . 2.7 mm-40 -140.82 131.34 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 118.28 36.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.876 HD12 HG22 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -147.38 133.55 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -70.69 172.55 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 117' ' ' THR . 1.3 m-20 -60.0 -45.61 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.14 -42.42 94.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.77 -31.63 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.876 HG22 HD12 ' A' ' 116' ' ' LEU . 28.4 t -74.68 -48.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -30.92 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -36.9 56.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.799 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.0 OUTLIER -66.24 -37.01 84.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 134' ' ' GLY . 27.4 mt -73.82 -44.29 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.59 -27.59 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -30.44 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.42 -30.22 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.27 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.64 112.2 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 140' ' ' GLU . 20.2 mt -84.73 -29.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.25 -20.29 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.7 28.35 61.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.446 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.48 -20.35 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.725 0.298 . . . . 0.0 111.22 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.711 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 110.64 -24.61 16.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 99' ' ' LEU . 25.7 m80 -110.47 147.92 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ILE . . . . . 0.535 HG13 HG23 ' A' ' 125' ' ' ILE . 3.6 mt -91.81 91.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.16 159.74 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.6 t80 -54.57 -32.81 59.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.453 ' HB3' HD12 ' A' ' 130' ' ' ILE . 3.1 pt-20 -64.93 -25.33 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -56.95 -47.99 79.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.8 t -63.16 -39.49 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.04 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 ttm -60.08 -36.3 77.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -33.04 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.96 30.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.872 ' HA ' HD12 ' B' 1910 ' ' ILE . 12.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -32.15 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.49 62.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.872 HD12 ' HA ' ' B' 1907 ' ' VAL . 14.6 mt -69.88 -39.15 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' 1907 ' ' VAL . 24.6 t -59.74 -44.0 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.799 HD11 ' CG ' ' A' ' 124' ' ' MET . 4.3 mt -74.06 -32.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -35.42 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -47.44 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.654 ' HB2' ' HG3' ' A' ' 114' ' ' GLU . . . -59.65 -30.19 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.417 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 15.1 t80 -81.37 -30.53 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.13 -35.47 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -31.06 60.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -69.19 -31.18 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mt-10 -75.42 -34.06 60.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -50.61 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.52 -29.69 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 83' ' ' GLU . 12.2 tt -66.0 -30.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.29 -30.71 62.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.999 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -73.32 -26.99 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -70.66 -34.45 72.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.48 -44.73 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 88' ' ' ALA . 12.1 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CD1' HG11 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -60.34 -70.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.9 83.71 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.51 HH21 HG13 ' A' ' 108' ' ' VAL . 1.3 mpt_? -62.33 -29.17 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -69.48 -19.42 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.56 49.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.012 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -79.3 -22.48 44.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.713 ' O ' HD22 ' A' ' 99' ' ' LEU . . . 86.46 -12.93 59.58 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.637 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 98' ' ' GLY . 4.2 mm? -133.69 130.05 37.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.64 118.8 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 p -95.56 -179.34 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -68.87 -39.61 79.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.24 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -61.31 -64.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -26.19 8.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.269 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -42.1 85.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.215 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -84.28 -28.23 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.693 ' O ' HD13 ' A' ' 112' ' ' LEU . 41.4 t -68.58 -34.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.411 ' HB3' HD12 ' A' ' 116' ' ' LEU . 3.5 mmt -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 m -71.46 -41.27 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -66.0 -42.97 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.1 mp -63.32 -20.99 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.4 48.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -158.56 113.85 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -81.29 135.42 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 109' ' ' MET . 15.2 mt -144.47 151.49 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -91.73 165.32 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.23 -32.7 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.29 -37.0 53.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.402 ' HB3' HD22 ' A' ' 116' ' ' LEU . 1.5 mt-10 -62.97 -45.36 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 117' ' ' THR . 21.5 t -64.28 -44.34 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -59.6 -34.9 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.97 -32.01 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtp -77.28 -35.51 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 102' ' ' ALA . 17.9 mt -71.54 -44.68 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 126' ' ' ARG . 3.8 mtm105 -57.93 -42.67 85.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.13 -30.6 71.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -111.2 32.49 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.51 96.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.5 mt -78.48 -33.05 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.06 -20.25 32.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.06 35.1 88.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.427 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -107.79 -20.38 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.77 35.59 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -142.04 155.13 45.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -116.34 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -102.82 176.89 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.1 -35.82 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -32.7 68.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -83.56 -35.27 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.19 -40.73 91.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.5 m -67.72 -36.81 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.65 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -67.11 -39.94 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 142' ' ' VAL . 28.4 m -105.11 30.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.512 ' HA ' HD12 ' B' 1910 ' ' ILE . 32.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 34.2 p -69.51 -30.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.78 92.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.512 HD12 ' HA ' ' B' 1907 ' ' VAL . 7.0 mt -63.62 -32.18 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' 1907 ' ' VAL . 21.8 t -58.51 -50.84 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.56 -36.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.69 -50.63 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1914 ' ' ARG . . . . . 0.508 ' HG3' HG22 ' B' 1910 ' ' ILE . 1.0 OUTLIER -66.88 -50.18 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.99 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.482 ' CE2' HD13 ' B' 1920 ' ' LEU . 9.4 t80 -83.48 -27.98 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -30.97 65.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -83.0 -38.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.71 -34.91 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1920 ' ' LEU . . . . . 0.482 HD13 ' CE2' ' B' 1916 ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.745 0.307 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 86' ' ' ILE . 39.4 mt-10 -74.91 -34.25 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG2' HD11 ' B' 1920 ' ' LEU . 1.4 mt-10 -90.29 -51.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' HG3' ' A' ' 145' ' ' MET . 8.5 mt -52.5 -33.28 44.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.6 tt -63.01 -31.28 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.97 -32.18 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -70.11 -29.46 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -72.69 -30.81 64.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -80.5 -43.84 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.8 p -69.64 -26.35 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HD13 ' A' ' 100' ' ' ILE . 1.6 m-85 -68.31 -40.55 81.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.09 77.08 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -76.77 -26.35 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.16 31.88 37.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.041 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -83.62 -22.42 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.711 0.291 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.73 -30.15 7.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 99' ' ' LEU . 3.6 mp -130.77 147.14 52.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.66 HD13 ' CD2' ' A' ' 92' ' ' PHE . 32.5 mt -77.56 105.98 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.188 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.3 p -81.52 -176.3 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.27 -28.07 61.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.198 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.32 -30.06 48.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.01 -29.97 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -64.94 -41.36 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.096 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -29.65 42.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 110' ' ' THR . 2.9 t60 -67.53 -38.65 84.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.08 -30.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.22 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -38.04 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 107' ' ' HIS . 11.3 t -67.15 -35.86 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -21.09 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.04 44.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -146.51 127.29 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -90.32 115.88 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.15 135.27 51.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.4 168.81 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -68.3 -24.53 64.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.65 -35.35 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -72.63 -31.28 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.407 HG22 HD11 ' A' ' 125' ' ' ILE . 14.0 p -72.4 -31.87 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -33.97 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.52 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -43.29 97.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.428 HG22 ' OD2' ' A' ' 129' ' ' ASP . 26.8 mt -72.42 -33.7 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -30.44 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.88 -30.0 40.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.82 -30.82 21.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -78.08 96.15 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.41 -27.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -89.61 9.8 25.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.363 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.79 23.91 23.94 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.624 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.36 -20.46 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.652 0.263 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.26 -17.08 58.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.692 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -116.16 162.71 17.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.03 104.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -83.65 172.56 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.1 t80 -57.63 -46.19 84.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.48 81.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.6 -43.24 85.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.11 -32.76 71.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 138' ' ' TYR . 28.5 t -69.87 -48.62 62.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -61.59 -38.58 88.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.438 ' SD ' HG21 ' B' 1912 ' ' ILE . 4.2 tmm? -71.8 -34.64 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' HD13 ' A' ' 85' ' ' LEU . 4.4 mmt -64.57 -51.23 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.84 -25.08 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.593 ' HA ' HD12 ' B' 1910 ' ' ILE . 29.3 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -60.88 -30.8 70.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.03 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1910 ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.2 mt -71.99 -38.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.455 HG13 HH21 ' B' 1914 ' ' ARG . 21.9 t -59.33 -40.45 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1912 ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 144' ' ' MET . 24.7 mm -80.08 -29.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -73.21 -35.35 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1914 ' ' ARG . . . . . 0.455 HH21 HG13 ' B' 1911 ' ' VAL . 29.4 ptt180 -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.88 76.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 31.3 t80 -87.92 -28.82 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -29.55 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -87.92 -35.66 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.17 -39.83 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1920 ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 84' ' ' GLU . 3.5 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.693 0.282 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.7 pt-20 -74.38 -34.1 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.22 -49.76 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -34.13 60.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.0 tt -61.91 -32.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.38 -31.54 70.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -72.66 -28.33 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.87 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -78.23 -49.34 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -59.31 -44.09 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 108' ' ' VAL . 4.3 m-85 -60.21 -52.32 65.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.08 83.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -30.17 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -78.9 -20.29 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.23 41.57 98.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -106.46 -21.98 12.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.38 -22.92 19.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.33 131.8 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -110.84 100.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -75.05 -179.61 4.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.3 -42.07 72.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -65.0 -29.97 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -85.19 -31.27 23.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.75 72.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 92' ' ' PHE . 20.6 m -88.65 -29.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.63 -40.26 92.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -67.62 -38.97 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -36.3 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.557 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.4 OUTLIER -68.13 -20.98 64.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.71 36.94 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.8 139.13 39.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -101.83 125.87 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -137.48 138.06 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.793 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -82.87 170.79 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.444 ' H ' HG22 ' A' ' 117' ' ' THR . 2.4 p30 -64.64 -41.19 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.66 -36.51 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.71 -38.84 87.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 117' ' ' THR . 29.0 t -75.62 -42.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -30.38 64.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.95 -30.01 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.7 mtp -73.17 -32.16 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 102' ' ' ALA . 36.5 mm -66.1 -46.14 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -61.16 -48.16 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.1 -29.31 70.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.23 -39.97 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.4 94.64 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 130' ' ' ILE . 3.0 mt -81.44 -3.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.514 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.58 -20.26 13.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 111.383 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.25 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.165 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.81 -20.54 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.4 89.28 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.146 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -129.59 133.05 46.96 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.9 mt -76.09 100.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -172.54 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -67.98 -52.02 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.47 -31.33 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -74.86 -37.88 62.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -64.28 -42.58 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.8 m -67.45 -35.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -39.35 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.34 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -40.47 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 142' ' ' VAL . 31.1 m -99.13 30.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1907 ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' 1911 ' ' VAL . 24.0 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.5 p -78.39 -30.78 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.95 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.96 -31.13 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1911 ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -68.35 -35.14 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 22.1 mt -80.93 -30.96 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.199 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -47.58 38.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.93 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1915 ' ' ALA . . . . . 0.557 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -60.61 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1916 ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 27.4 t80 -62.74 -27.19 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -57.13 -35.92 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -77.37 -31.53 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.24 98.95 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.888 ' HB3' HG22 ' A' ' 146' ' ' VAL . 5.8 mp0 -124.45 -53.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -59.56 -31.18 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.93 -18.01 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.345 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.497 ' HB3' HD21 ' A' ' 85' ' ' LEU . 10.9 m -60.07 -14.53 17.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.275 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 86' ' ' ILE . 20.5 mt-10 -39.35 -41.8 0.97 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.769 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 86' ' ' ILE . 9.9 pt-20 -58.01 -37.97 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.772 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' SER . 8.2 mt-10 -90.88 -48.0 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 85' ' ' LEU . 2.9 mt -53.59 -29.0 35.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 82' ' ' GLU . 16.2 tt -74.93 -30.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.8 tt0 -75.02 -32.92 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -67.05 -30.97 71.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -55.66 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -28.91 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.628 HG21 ' OH ' ' B' 1919 ' ' TYR . 26.9 t -82.49 -33.45 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.0 m-85 -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -76.49 92.88 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -72.19 -35.12 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -72.69 -20.28 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.14 28.38 72.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.536 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -96.22 -22.03 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.1 9.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.507 HD22 ' CB ' ' A' ' 135' ' ' HIS . 8.5 mt -146.81 129.95 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -103.99 123.24 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.02 -176.86 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.69 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.85 -28.29 36.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 108' ' ' VAL . 41.7 mt-10 -77.04 -43.84 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.43 -50.69 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -59.24 -30.4 68.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.24 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 92' ' ' PHE . 21.5 t -74.8 -38.39 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.64 -36.25 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.3 m -64.5 -49.22 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.5 -39.11 88.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.436 HD13 HG12 ' A' ' 108' ' ' VAL . 6.6 mp -66.71 -21.1 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.58 48.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -147.13 119.16 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -88.4 125.17 34.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -138.44 137.75 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -82.53 166.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -31.34 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.98 -41.97 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.24 -40.14 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 117' ' ' THR . 30.4 t -70.02 -49.17 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.96 -30.13 58.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.61 -29.59 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.8 mtp -78.95 -32.04 45.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.26 -45.19 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -41.31 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.84 -30.17 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.78 14.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 104.65 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.97 -29.26 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.89 -20.25 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.59 40.45 38.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -109.03 -20.51 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.24 30.81 7.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.507 ' CB ' HD22 ' A' ' 99' ' ' LEU . 49.5 m80 -150.27 141.95 23.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.32 117.72 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 -169.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -65.95 -49.91 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.85 -32.72 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -80.65 -32.33 36.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.6 -49.45 76.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.787 ' O ' HG23 ' A' ' 146' ' ' VAL . 21.5 t -63.75 -40.47 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.32 -48.92 79.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.551 ' SD ' HD13 ' B' 1912 ' ' ILE . 3.4 ttm -60.08 -38.26 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -31.45 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.888 HG22 ' HB3' ' A' ' 78' ' ' GLU . 15.0 t -97.94 29.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.19 84.13 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.915 0.388 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.04 -13.58 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.414 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 9.2 mttm 78.93 -52.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.615 0.245 . . . . 0.0 111.181 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 68.96 42.19 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.08 -36.87 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -83.01 -48.68 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.518 ' O ' HG23 ' B' 1911 ' ' VAL . 34.3 t -59.33 -41.97 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 41.1 m -60.35 -32.04 70.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.24 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.994 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.59 -37.69 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -59.3 -36.95 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.551 HD13 ' SD ' ' A' ' 144' ' ' MET . 29.6 mt -84.15 -38.22 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -45.66 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.733 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.39 81.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 6.9 t80 -75.33 -32.17 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.48 -43.62 96.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -65.32 -39.36 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.628 ' OH ' HG21 ' A' ' 91' ' ' VAL . 69.1 t80 -60.66 -37.02 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -46.14 46.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -28.31 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.86 -48.26 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -48.16 57.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 tttt -71.83 72.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 6.8 m -68.37 -28.76 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 69.2 -66.6 0.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.8 0.333 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 152.29 18.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.43 -57.8 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.02 -39.84 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -26.38 68.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -6.32 43.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.455 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.45 -34.01 17.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.728 0.299 . . . . 0.0 111.285 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.61 -25.57 15.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.716 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.51 -47.56 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.424 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 145' ' ' MET . 28.5 mt -69.7 -33.03 71.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.4 tt -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.199 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 91' ' ' VAL . 19.4 tt0 -69.28 -38.2 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.27 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.53 -41.77 95.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.75 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.769 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -78.63 -37.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -46.05 78.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.29 81.49 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -68.49 -22.67 64.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -69.22 -20.25 63.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.95 33.78 86.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -109.16 -21.92 12.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.86 -28.61 10.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' ' 135' ' ' HIS . 4.1 mp -107.91 131.76 54.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mt -98.79 122.51 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.1 p -89.01 -178.93 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.53 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.33 -35.43 77.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 108' ' ' VAL . 36.6 mt-10 -63.75 -39.75 95.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.74 -37.77 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 112' ' ' LEU . 21.5 t -82.18 -34.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.24 -35.18 80.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -70.63 -33.43 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -39.82 49.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 108' ' ' VAL . 8.8 mp -66.38 -21.09 66.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.44 42.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -134.13 134.32 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -117.46 114.1 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -133.94 147.9 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 121' ' ' VAL . 3.0 p -69.07 178.52 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.4 -47.19 77.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.22 -36.53 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.86 -35.41 78.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 116' ' ' LEU . 31.5 t -71.87 -48.34 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.86 -34.64 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.69 -32.98 74.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 mtm -73.8 -32.45 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 136' ' ' ILE . 32.4 mm -71.08 -44.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -32.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.74 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.52 30.9 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.67 102.94 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.34 -52.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -82.79 -20.15 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.37 36.04 69.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -89.69 -20.28 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.48 30.24 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.644 ' HB2' HD23 ' A' ' 99' ' ' LEU . 72.6 m80 -152.0 179.99 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 125' ' ' ILE . 22.8 mt -135.93 107.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.29 -176.17 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.4 t80 -60.63 -46.79 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.83 -30.92 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -69.99 -32.97 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.7 t -69.1 -32.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -82.33 -32.7 29.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.7 ttm -65.1 -45.25 85.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 85' ' ' LEU . 35.8 tpp -80.09 -45.17 18.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 146' ' ' VAL . 21.6 t -96.36 39.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 103.48 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -98.64 -58.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.0 mttt 60.94 160.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -127.12 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.87 -37.66 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -50.32 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -56.25 -29.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.2 m -80.24 -21.76 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -86.11 -38.73 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.239 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.87 -38.81 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.477 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -58.55 -43.87 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.477 ' N ' HG13 ' B' 1911 ' ' VAL . 29.2 mt -60.51 -35.97 66.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.75 -34.56 64.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.84 -30.92 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.51 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 8.3 t80 -70.86 -31.05 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -59.75 -30.62 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.987 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -81.41 -31.54 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.49 -34.55 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 72.1 mt -74.03 -45.76 47.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.1 mttm -78.41 -53.14 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.31 -34.65 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.75 136.0 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t 59.31 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.18 34.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mtp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 -66.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 65.54 14.44 9.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.442 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -41.3 7.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.65 -4.51 46.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.606 ' HB3' HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -88.83 9.25 25.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.622 0.249 . . . . 0.0 111.338 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.87 -39.35 10.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -96.53 -21.29 17.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.304 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -86.81 -51.85 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 81' ' ' SER . 37.9 mt -63.34 -41.07 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 tt -59.29 -37.87 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.26 -43.27 74.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.4 -29.96 61.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.39 -36.62 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -70.75 -36.47 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -40.7 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -70.61 -44.56 67.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 86.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -72.55 -30.95 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.49 -20.23 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.4 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -109.59 -21.93 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.641 0.257 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.03 30.83 7.64 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -145.21 129.9 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.45 120.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -93.81 171.57 8.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.556 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -60.36 -30.3 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.81 -27.69 33.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -74.19 -30.56 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.668 HD23 HG13 ' A' ' 121' ' ' VAL . 7.4 tp -70.51 -55.01 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.85 -29.77 67.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -39.13 86.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.5 t -83.04 -32.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.39 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.21 -34.78 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -21.15 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -154.15 115.19 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -92.17 136.18 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.29 142.94 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.9 m -77.76 166.05 23.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.77 -38.48 78.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.41 -31.32 57.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.24 -33.47 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.668 HG13 HD23 ' A' ' 105' ' ' LEU . 21.8 t -86.47 -37.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 125' ' ' ILE . 5.3 t70 -60.27 -31.38 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.7 -37.46 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.501 ' SD ' HD11 ' B' 1912 ' ' ILE . 50.3 mtm -65.74 -35.63 81.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.7 mt -71.01 -33.66 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -31.46 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.38 -31.22 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -88.58 -39.99 13.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.96 114.0 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 mt -90.04 -37.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.86 -20.2 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.63 34.33 72.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.564 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -85.98 -20.35 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.33 28.63 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -155.66 139.08 15.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.5 mt -83.17 122.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.08 174.77 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 142' ' ' VAL . 88.6 t80 -63.76 -54.14 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -31.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -36.05 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -69.03 -30.61 69.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -64.92 -31.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -45.99 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 2.2 ttp -62.28 -48.98 77.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -62.05 -39.78 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 146' ' ' VAL . 14.9 t -98.41 32.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.043 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.5 -33.84 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 60.02 168.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.3 pttt -111.15 109.68 19.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.69 153.05 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -92.97 -32.49 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.61 -46.84 20.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.98 -38.26 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -31.02 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.89 69.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.33 -30.39 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.96 -37.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.501 HD11 ' SD ' ' A' ' 124' ' ' MET . 28.4 mm -83.49 -31.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.67 -30.82 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -79.07 -30.71 44.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.45 73.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -70.47 -29.19 65.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -46.68 85.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -29.68 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.0 -56.88 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.49 85.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.38 -49.26 78.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.67 -30.21 62.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -32.95 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.6 100.07 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 20.3 m -115.43 153.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 171.37 13.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.05 -33.3 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.08 -66.71 0.24 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.12 -35.99 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.86 -28.1 61.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.617 ' HB3' HG13 ' A' ' 142' ' ' VAL . 3.7 m -83.59 -11.22 57.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -94.56 -23.96 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.466 ' C ' HG22 ' A' ' 86' ' ' ILE . 6.7 pt-20 -96.37 -27.66 14.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.319 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -90.18 -55.4 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.219 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 81' ' ' SER . 38.8 mt -58.45 -30.97 67.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 83' ' ' GLU . 14.7 tt -57.91 -38.87 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.9 -40.17 61.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.82 -30.77 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 26.2 t80 -64.09 -39.79 94.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.12 77.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.5 t -80.36 -33.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -34.07 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.0 83.46 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -65.48 -26.62 68.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -69.38 -20.26 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 32.41 80.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -105.03 -21.96 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.298 . . . . 0.0 111.159 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 -26.93 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.45 140.11 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.1 mt -116.84 122.9 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 p -88.81 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.97 56.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.04 -33.21 63.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.466 HD12 HD12 ' A' ' 136' ' ' ILE . 0.7 OUTLIER -71.68 -52.45 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 110' ' ' THR . 0.9 OUTLIER -59.72 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -36.16 78.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.34 -33.62 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.0 -44.84 87.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 106' ' ' ARG . 9.5 t -61.91 -35.04 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -38.88 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 32.51 2.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -125.74 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -96.79 115.2 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 114' ' ' GLU . 5.5 mp -130.66 156.0 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -96.06 168.37 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -44.63 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -32.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -52.74 48.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 117' ' ' THR . 22.5 t -63.65 -44.33 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.58 -39.27 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.06 -30.1 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -31.76 52.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 136' ' ' ILE . 33.9 mm -68.45 -37.4 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.59 -37.73 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.12 -31.49 71.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.527 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.88 -31.02 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 102.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.8 mt -86.98 -30.88 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.37 -20.23 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.74 40.53 45.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.48 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -97.16 -20.43 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.23 28.15 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -147.58 179.71 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 125' ' ' ILE . 32.8 mt -137.12 118.74 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.1 177.53 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.0 t80 -61.49 -39.97 92.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.83 -36.18 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.34 -31.43 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.8 -32.12 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 138' ' ' TYR . 26.4 t -74.98 -33.2 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -50.32 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.527 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 21.6 ttp -58.65 -39.49 80.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 145' ' ' MET . 35.3 tpp -60.97 -55.38 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 142' ' ' VAL . 16.1 m -97.56 39.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.32 43.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.2 mmtp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 -49.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.86 105.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.45 33.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1905 ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' B' 1909 ' ' ALA . 0.0 OUTLIER -79.41 -45.43 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.86 -31.15 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -64.89 -46.94 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.512 ' HA ' HG22 ' B' 1911 ' ' VAL . 17.7 p -87.33 -4.89 59.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.475 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' B' 1905 ' ' GLU . . . -79.88 -27.41 40.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.376 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 25.4 mm -87.55 -40.11 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' 1908 ' ' SER . 23.4 m -56.27 -30.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 21.9 mt -78.34 -47.09 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.204 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.94 -33.96 76.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -30.68 71.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.36 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 11.3 t80 -78.07 -28.38 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.05 86.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -73.12 -33.54 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.535 ' OH ' HG21 ' A' ' 91' ' ' VAL . 77.8 t80 -58.73 -30.0 67.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' 1920 ' ' LEU . 15.9 mt -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.52 -39.9 51.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -63.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1923 ' ' GLN . . . . . 0.549 ' HB3' HG22 ' B' 1925 ' ' VAL . 0.8 OUTLIER -60.0 -59.07 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.4 tttt 59.71 30.9 20.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.549 HG22 ' HB3' ' B' 1923 ' ' GLN . 5.5 m -112.54 103.84 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.37 -42.52 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.4 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.854 0.359 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.97 145.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -170.42 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -91.44 -31.76 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.5 -18.49 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.274 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.603 ' HB3' HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -82.18 2.55 31.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.442 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -32.47 13.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -96.55 -27.08 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.62 -55.78 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.09 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 81' ' ' SER . 35.4 mt -57.75 -39.01 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.049 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.1 tt -59.62 -40.31 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 86' ' ' ILE . 1.8 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.73 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 1.5 t80 -60.03 -32.41 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -34.84 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.72 -34.99 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 108' ' ' VAL . 5.1 m-85 -69.86 -35.89 75.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 92.88 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.07 -36.34 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -94.2 -20.23 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.45 46.85 66.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -93.53 -21.81 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -26.49 9.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.52 139.79 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.46 144.6 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.37 -171.82 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.56 -32.78 36.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.14 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 125' ' ' ILE . 5.6 tp -69.68 -31.51 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -83.19 -27.13 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -29.7 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 92' ' ' PHE . 17.9 m -87.16 -28.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -36.42 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -66.14 -34.1 77.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -37.45 37.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -21.05 66.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.79 43.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.92 150.19 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' C ' HD22 ' A' ' 116' ' ' LEU . 2.9 mmpt? -113.46 116.83 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.5 mm? -126.32 140.03 52.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.6 m -85.35 168.42 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 117' ' ' THR . 5.4 p-10 -62.94 -40.89 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.7 -39.86 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.7 mt-10 -59.72 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 117' ' ' THR . 28.4 t -69.53 -47.79 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.98 -31.13 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -30.41 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -36.26 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.666 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.5 mm -68.73 -36.38 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.86 -47.21 87.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.16 -37.01 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -78.93 -35.47 43.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -64.32 102.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' A' ' 140' ' ' GLU . 35.5 mt -88.47 -30.63 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -87.39 -20.19 27.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.55 21.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.46 -20.41 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.05 -15.34 33.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.795 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -109.81 158.59 17.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.3 mt -108.92 139.67 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.29 173.22 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 142' ' ' VAL . 30.7 t80 -59.89 -40.65 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.1 -43.29 87.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' HG2' HD12 ' A' ' 130' ' ' ILE . 32.9 mt-10 -67.12 -34.21 77.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.26 -30.56 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -76.02 -31.88 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.02 -39.69 72.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 40.0 ttp -65.54 -56.64 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -64.43 -48.82 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 146' ' ' VAL . 19.1 t -96.97 38.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -66.62 -176.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.0 tttt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.8 0.333 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -86.61 98.95 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -127.1 -48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.22 30.57 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.03 -36.73 16.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -82.17 -39.62 22.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.673 ' O ' HG13 ' B' 1911 ' ' VAL . 25.4 t -66.76 -30.36 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.4 m -78.89 -23.88 44.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.05 -32.85 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 27.5 pt -76.98 -38.56 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.384 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' 1907 ' ' VAL . 19.3 m -58.87 -40.79 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.419 HG12 HG23 ' B' 1911 ' ' VAL . 31.6 mm -77.2 -31.71 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -74.08 -48.42 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.86 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 3.9 t80 -66.04 -29.61 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1917 ' ' ARG . . . . . 0.613 ' O ' HD12 ' B' 1921 ' ' LEU . 1.0 OUTLIER -58.52 -31.17 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -78.44 -35.48 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.72 -32.81 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -22.99 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.613 HD12 ' O ' ' B' 1917 ' ' ARG . 0.4 OUTLIER -84.23 -40.39 18.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -81.66 -70.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -41.44 83.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.0 tttp 58.09 178.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 12.0 p -95.17 -31.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -89.17 157.54 18.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.769 0.318 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -115.65 -39.15 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -91.43 -39.46 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.68 -28.74 69.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -12.65 61.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.94 -39.27 26.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.718 0.294 . . . . 0.0 111.342 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -96.49 -22.18 17.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.572 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -85.36 -51.1 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.267 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -38.08 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.374 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.1 tt -58.32 -42.83 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.185 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.5 tt0 -67.55 -45.69 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.38 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -59.68 -40.32 87.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -41.36 78.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.35 -34.04 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.34 -53.79 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -71.48 83.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -69.34 -20.26 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.52 35.14 78.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.59 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -106.37 -22.02 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.86 -28.26 8.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.57 129.93 55.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.34 119.78 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.9 p -85.58 -174.62 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' HG11 ' A' ' 121' ' ' VAL . . . -74.3 -38.73 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -33.05 74.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 55.0 mt-10 -67.95 -36.08 79.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.432 HD23 ' CG ' ' A' ' 109' ' ' MET . 2.4 tt -65.69 -45.78 81.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 112' ' ' LEU . 25.7 t -79.48 -31.21 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.432 ' CG ' HD23 ' A' ' 105' ' ' LEU . 2.5 mmt -63.71 -42.54 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.9 m -65.06 -42.19 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -37.57 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.55 -21.07 65.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.19 41.23 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -144.55 135.26 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -114.94 127.47 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 121' ' ' VAL . 1.2 pt? -149.98 142.85 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -69.43 174.73 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.33 -37.7 78.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.16 -36.99 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 116' ' ' LEU . 27.1 t -71.95 -48.49 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -30.13 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.29 -34.88 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.2 mtm -73.54 -42.18 62.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.6 HD13 HD11 ' A' ' 136' ' ' ILE . 40.6 mm -64.08 -42.55 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -49.19 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.99 -36.26 80.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 144' ' ' MET . . . -77.83 -35.81 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.79 101.89 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -87.91 -28.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -92.26 13.44 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.14 25.24 17.48 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.679 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.73 -20.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.599 0.237 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.33 -13.66 64.58 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.801 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -112.31 155.28 24.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.889 0.376 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 125' ' ' ILE . 31.2 mt -96.58 105.05 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.96 -177.59 5.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.733 ' O ' HG23 ' A' ' 142' ' ' VAL . 24.5 t80 -64.13 -44.62 91.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -38.6 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.54 -30.72 68.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.99 -30.6 65.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 138' ' ' TYR . 25.7 t -69.45 -37.08 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -77.73 -34.92 52.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 128' ' ' ALA . 1.2 ttm -64.4 -61.66 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 11.9 tpp -63.61 -46.5 85.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 146' ' ' VAL . 4.8 t -96.04 39.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 p -70.66 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.933 0.397 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -110.13 -48.89 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.9 mttt 60.75 163.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -130.42 84.4 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.49 -48.06 8.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.09 -53.68 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -54.94 -28.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -73.16 -24.85 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.514 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -85.89 -34.03 21.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.46 -44.64 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' 1912 ' ' ILE . 12.2 p -58.69 -43.08 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' 1909 ' ' ALA . 27.6 mt -60.1 -46.74 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.55 -44.62 81.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.63 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -74.03 -29.12 61.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -58.32 -30.27 66.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -32.63 26.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.1 t80 -62.25 -31.23 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 56.0 mt -80.6 -30.04 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -29.65 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -37.16 23.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -36.55 21.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 6.2 mttp -116.56 140.75 49.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t 63.61 115.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -42.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -109.72 -30.57 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 68.08 -69.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -57.06 -44.39 82.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.998 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -17.0 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.63 ' HB3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.79 8.66 24.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.413 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.01 -38.29 10.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.766 0.317 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.39 -22.8 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.422 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.6 -56.04 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 111.059 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 81' ' ' SER . 29.6 mt -58.55 -40.21 82.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 tt -59.94 -34.99 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -76.73 -46.62 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -59.22 -30.46 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -45.1 96.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -62.67 -34.45 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.62 -36.79 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.8 -48.41 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -65.69 86.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -70.23 -31.61 69.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -75.15 -20.2 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.43 95.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -109.55 -21.88 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 -10.89 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 11.1 mt -114.22 134.05 55.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mt -107.75 117.64 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 168.08 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.64 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 106' ' ' ARG . . . -63.55 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.596 ' HA ' ' CD2' ' A' ' 107' ' ' HIS . 33.2 mt-10 -85.75 -22.5 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.23 -11.52 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.664 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 103' ' ' ALA . 1.8 ppt_? -89.84 -32.99 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.248 . . . . 0.0 111.353 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.79 ' CE1' HG13 ' A' ' 108' ' ' VAL . 4.0 p80 -75.53 -30.67 59.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.816 0.341 . . . . 0.0 111.062 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.79 HG13 ' CE1' ' A' ' 107' ' ' HIS . 19.5 m -75.0 -34.42 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' 1911 ' ' VAL . 0.0 OUTLIER -72.6 -30.98 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.7 m -68.71 -36.81 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.5 -39.38 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 108' ' ' VAL . 5.0 mp -64.77 -21.15 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.05 50.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.93 162.92 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 121.45 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.759 HD12 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -150.0 146.05 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -82.03 172.92 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . 0.5 OUTLIER -59.07 -43.97 91.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.1 -40.79 95.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -34.44 76.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG22 HD12 ' A' ' 116' ' ' LEU . 21.4 t -73.08 -46.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -29.99 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -29.92 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 116' ' ' LEU . 23.3 mtm -79.34 -39.34 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 136' ' ' ILE . 35.6 mm -68.26 -39.84 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -64.59 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.03 -30.83 58.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -86.19 -39.18 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.1 108.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.98 -32.03 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -73.47 -20.2 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 43.82 63.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -109.0 -20.27 13.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.278 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.48 -25.07 14.15 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 38.4 m80 -109.86 137.02 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 125' ' ' ILE . 29.6 mt -88.35 125.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.42 -170.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 142' ' ' VAL . 84.1 t80 -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.39 -31.35 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.25 -31.92 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.16 -31.08 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.7 t -67.9 -51.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.42 -30.74 68.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 3.3 tmm? -75.38 -41.78 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.538 ' HG3' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -67.04 -51.5 53.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 142' ' ' VAL . 21.1 m -98.42 33.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p -65.85 147.1 53.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.756 0.313 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 93.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 8.2 tttt -150.45 116.21 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 60.25 87.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.4 -32.93 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -41.52 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' 1911 ' ' VAL . 21.5 t -58.23 -40.98 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -60.35 -34.87 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -68.42 -36.13 78.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.45 -37.84 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -56.6 -29.66 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.285 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.8 mm -88.7 -29.3 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -81.23 -32.91 33.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -41.67 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.55 76.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 16.2 t80 -61.07 -30.32 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -37.76 77.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -69.9 -31.02 68.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.77 -35.56 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.66 -31.96 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -33.19 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.81 -36.76 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -46.88 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 8.8 mmtt 60.19 110.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -118.68 -53.25 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 118.58 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 154.26 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -166.52 -48.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.08 -33.13 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.76 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.72 10.23 35.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.274 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -95.04 -51.88 4.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.807 0.337 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -85.68 -20.13 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.505 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -86.2 -48.01 8.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.184 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 145' ' ' MET . 37.8 mt -70.0 -39.28 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.219 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -56.89 -35.45 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.25 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -74.14 -30.87 62.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -76.13 -30.31 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CD1' HD11 ' A' ' 100' ' ' ILE . 11.9 t80 -59.95 -39.72 86.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -63.24 -43.63 97.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -46.82 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.23 -42.37 93.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.95 92.92 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -69.14 -42.34 76.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -84.65 -20.17 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.22 33.2 84.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.563 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -79.7 -21.94 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.574 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 108.14 24.91 6.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 98' ' ' GLY . 3.3 mp -161.15 162.47 31.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.41 HD11 ' CD1' ' A' ' 89' ' ' PHE . 31.7 mt -126.47 107.47 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.7 p -85.14 175.11 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.466 ' HB2' HG13 ' A' ' 125' ' ' ILE . . . -64.96 -42.52 94.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.22 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.2 mt-10 -79.13 -34.11 43.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.43 -48.04 52.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -61.88 -32.95 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -39.03 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 104' ' ' GLU . 27.6 t -79.26 -33.65 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.38 -36.67 83.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.7 m -64.01 -41.7 97.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.3 -31.96 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.6 OUTLIER -67.79 -21.04 65.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.42 37.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 118.72 10.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 122.11 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.44 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 2.9 mp -141.26 121.42 13.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.55 179.99 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.4 -21.91 57.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -42.71 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.16 -32.89 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.01 -37.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -35.15 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -30.83 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CD2' ' A' ' 116' ' ' LEU . 1.8 mtm -77.49 -42.93 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 136' ' ' ILE . 43.3 mm -61.96 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -61.47 -36.75 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -30.62 71.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.63 -28.51 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.422 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -69.59 91.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.4 mt -78.04 -30.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -84.18 -20.28 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.57 45.92 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.18 -20.37 12.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.58 28.56 8.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -149.77 140.39 22.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.474 HD11 HD13 ' A' ' 125' ' ' ILE . 25.6 mt -94.87 126.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.63 169.23 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.838 ' O ' HG23 ' A' ' 142' ' ' VAL . 25.0 t80 -59.28 -33.54 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.54 -31.5 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.56 -38.13 34.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.96 -31.46 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -66.51 -51.36 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -60.16 -34.42 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -49.96 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.414 ' HG2' HD21 ' A' ' 85' ' ' LEU . 1.4 tpt -62.58 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.2 m -98.33 32.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.2 p -69.93 -33.55 72.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 pttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 2.5 mmtp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -153.04 -175.8 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -118.05 85.2 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.81 167.59 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -87.88 -30.92 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.451 ' O ' HG23 ' B' 1910 ' ' ILE . 3.6 mt-10 -72.03 -33.79 68.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.697 ' O ' HG23 ' B' 1911 ' ' VAL . 11.2 p -74.55 -29.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 58.8 m -87.04 -28.25 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.05 -35.31 61.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.451 HG23 ' O ' ' B' 1906 ' ' GLU . 1.4 pp -69.23 -32.91 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.257 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' 1907 ' ' VAL . 37.4 t -67.46 -44.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.6 -35.59 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -33.37 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -69.45 -43.31 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -63.05 -45.49 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 10.1 t80 -66.76 -29.49 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.13 -34.97 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.14 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.24 -39.01 85.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -35.34 35.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -32.07 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -64.77 -37.22 86.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1923 ' ' GLN . . . . . 0.63 ' O ' HG13 ' B' 1925 ' ' VAL . 9.7 mt-30 -91.75 -33.3 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.82 32.43 0.27 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.63 HG13 ' O ' ' B' 1923 ' ' GLN . 26.9 m -98.15 111.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.8 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -107.97 173.83 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.589 ' O ' HD11 ' A' ' 85' ' ' LEU . 4.6 mt-10 -110.72 -44.77 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -78.43 -31.82 48.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 -0.96 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.45 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 39.4 t -87.24 10.92 15.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.471 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -43.98 -30.37 0.71 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.789 0.328 . . . . 0.0 111.514 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mm-40 -74.79 -34.39 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.2 mt-10 -90.07 -50.46 5.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD11 ' O ' ' A' ' 78' ' ' GLU . 11.5 mt -53.05 -33.92 54.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.064 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -59.55 -31.74 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.4 tt0 -68.57 -35.85 77.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -63.77 -35.77 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.24 -40.27 96.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -67.48 -35.94 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 87' ' ' GLU . 27.3 t -69.18 -32.6 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.649 ' HA ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -79.84 -31.04 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.36 92.95 8.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -74.78 -37.11 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -69.48 -20.22 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.48 33.76 82.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.427 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -100.78 -21.91 15.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.5 26.63 5.3 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.573 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 135' ' ' HIS . 6.6 mt -161.28 130.35 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -99.14 131.79 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -170.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -73.0 -38.34 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.26 72.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.638 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -65.85 -52.23 52.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.4 -44.04 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -36.71 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -44.79 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 92' ' ' PHE . 31.4 t -67.78 -36.56 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.77 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 m -71.57 -40.0 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.8 -43.12 66.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.462 HD13 HG12 ' A' ' 108' ' ' VAL . 6.3 mp -60.69 -21.03 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.58 34.36 2.88 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.71 152.74 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 141.41 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -144.89 149.98 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.1 p -78.4 168.83 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.78 -37.68 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.73 -31.25 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -37.34 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 117' ' ' THR . 34.9 t -70.84 -41.83 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.69 -30.28 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -40.0 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 ttm -61.62 -44.46 96.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 102' ' ' ALA . 24.8 mt -69.71 -39.17 77.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.64 -27.88 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.01 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 -30.74 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.294 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 103.65 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.503 HD12 ' CG ' ' A' ' 140' ' ' GLU . 4.9 mt -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.31 -20.27 34.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.74 54.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -92.01 -20.38 21.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.36 -24.48 25.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.514 ' CB ' HD22 ' A' ' 99' ' ' LEU . 8.9 m80 -109.83 143.3 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.483 ' O ' HD23 ' A' ' 99' ' ' LEU . 14.5 mt -82.8 131.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -101.5 175.7 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -59.94 -55.2 37.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.12 -40.21 80.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.503 ' CG ' HD12 ' A' ' 130' ' ' ILE . 13.8 mt-10 -60.12 -41.71 93.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -60.01 -31.86 70.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.89 -35.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.491 ' HG3' HD11 ' A' ' 130' ' ' ILE . 11.4 mmt180 -66.56 -37.02 84.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.652 ' SD ' HD13 ' B' 1912 ' ' ILE . 24.8 ttm -61.45 -49.18 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -48.87 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 146' ' ' VAL . 12.6 t -100.57 34.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.0 p -60.07 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.44 -48.64 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.77 127.27 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -161.79 -45.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -63.36 -39.3 94.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -66.65 -45.88 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.422 ' O ' HG13 ' B' 1911 ' ' VAL . 21.5 t -62.73 -30.07 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 75.0 m -86.89 -22.7 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.01 -28.93 22.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -30.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.502 HG23 HG13 ' B' 1912 ' ' ILE . 26.6 m -74.98 -29.47 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.652 HD13 ' SD ' ' A' ' 144' ' ' MET . 24.7 mt -85.57 -31.0 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.69 -35.19 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -68.08 -31.83 71.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.02 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.574 ' CE2' HD11 ' B' 1920 ' ' LEU . 38.1 t80 -80.19 -30.66 38.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.6 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -76.46 -33.13 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.82 -34.3 73.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.574 HD11 ' CE2' ' B' 1916 ' ' TYR . 30.7 mt -75.96 -40.17 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -42.95 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -33.44 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.4 mttt 60.26 173.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -114.9 -44.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.04 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 16.2 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -109.69 164.6 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.538 ' HB3' HG22 ' A' ' 146' ' ' VAL . 1.1 mt-10 -108.58 -36.89 6.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -99.86 -30.52 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.93 -2.78 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.367 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 84' ' ' GLU . 2.3 p -89.06 10.88 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -44.35 -30.48 0.84 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.739 0.305 . . . . 0.0 111.54 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.1 pt-20 -74.61 -34.48 62.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.8 OUTLIER -90.27 -50.72 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 145' ' ' MET . 8.3 mt -53.01 -33.56 52.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -60.82 -31.67 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -72.4 -31.12 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.96 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -69.52 -31.43 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -53.73 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 -25.68 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 108' ' ' VAL . 1.4 m-85 -75.65 -36.22 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.04 89.45 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.02 -36.82 69.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.52 -20.17 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.59 36.26 91.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -107.7 -21.97 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.701 0.286 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.56 -22.02 13.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.611 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.0 mt -106.37 147.2 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.3 mt -122.48 109.71 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.76 176.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.26 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.37 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.9 mt-10 -80.41 -45.44 17.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 125' ' ' ILE . 5.6 tp -58.41 -47.39 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -29.69 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -76.64 -33.12 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 112' ' ' LEU . 21.4 t -76.84 -47.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.1 -29.27 65.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 m -62.99 -65.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -60.23 -30.19 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.959 HD23 ' HB1' ' B' 1915 ' ' ALA . 1.0 OUTLIER -64.7 -21.06 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 31.52 4.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' OE2' HG13 ' B' 1911 ' ' VAL . 0.9 OUTLIER -140.5 114.48 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' C ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -85.73 118.76 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.513 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.5 mp -126.93 137.61 53.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -77.87 167.92 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 117' ' ' THR . 1.6 m-20 -60.32 -40.07 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.03 -34.77 57.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.2 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 117' ' ' THR . 22.0 t -85.33 -43.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -29.14 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -30.01 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.711 ' HE2' HD11 ' B' 1912 ' ' ILE . 1.5 mtp -72.07 -40.62 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 136' ' ' ILE . 41.0 mm -64.12 -42.46 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.02 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.58 -30.38 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' HD12 ' A' ' 136' ' ' ILE . . . -87.86 -27.95 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 105.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 mt -87.87 -30.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -88.79 -20.33 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 45.33 58.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -110.28 -20.38 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.658 0.266 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.85 32.92 4.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -156.83 145.38 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.647 HD11 HG23 ' A' ' 125' ' ' ILE . 31.8 mm -95.85 115.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -96.94 172.07 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -59.52 -32.02 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -25.25 56.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -89.46 -28.41 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -71.67 -30.77 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.07 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 143' ' ' ARG . 10.8 p -73.17 -41.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 142' ' ' VAL . 16.2 mmm180 -65.96 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.64 -32.08 71.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.44 ' HG2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -67.6 -43.08 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 78' ' ' GLU . 21.5 t -83.39 -31.58 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m -62.08 150.56 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.847 0.356 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -152.74 151.34 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -157.68 152.79 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.44 33.56 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -38.72 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.36 -40.65 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.697 ' HA ' HD12 ' B' 1910 ' ' ILE . 21.5 t -62.13 -32.5 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 45.2 p -73.27 -30.87 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -71.07 -31.19 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.697 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.3 mt -70.17 -30.75 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 114' ' ' GLU . 21.4 t -65.33 -42.43 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.711 HD11 ' HE2' ' A' ' 124' ' ' MET . 24.9 mm -78.33 -31.01 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -75.31 -35.82 61.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1914 ' ' ARG . . . . . 0.412 ' HG3' HG22 ' B' 1910 ' ' ILE . 3.2 mtp180 -71.8 -39.25 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.959 ' HB1' HD23 ' A' ' 112' ' ' LEU . . . -63.34 -45.63 90.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 28.3 t80 -64.13 -29.95 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -41.82 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -28.22 59.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 39.8 t80 -57.65 -43.02 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.26 -49.09 29.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.43 ' O ' HD23 ' B' 1921 ' ' LEU . 1.2 tt -62.96 -31.43 72.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -74.3 -38.21 63.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -75.77 -36.15 59.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 64.95 -76.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.2 t 67.53 110.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 18.1 pttt -148.94 -46.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.92 120.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -152.58 -51.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.03 -25.59 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.94 -2.47 40.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.505 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 84' ' ' GLU . 23.8 m -86.64 10.87 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.357 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -44.42 -30.15 0.81 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.697 0.284 . . . . 0.0 111.421 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 86' ' ' ILE . 49.7 mt-10 -74.76 -34.66 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' SER . 3.0 mt-10 -90.11 -50.37 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 10.0 mt -53.26 -33.32 52.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.6 tt -60.63 -31.58 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.18 -31.55 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.87 68.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -36.71 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 m -64.85 -34.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.93 -37.28 81.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.2 92.9 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.27 -54.16 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -74.05 -20.23 60.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.84 60.67 7.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.654 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.87 6.64 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.78 -24.55 27.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.272 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 155.76 41.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -96.31 93.8 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.85 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.73 87.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.13 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 109' ' ' MET . 3.1 tt -74.97 -50.7 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -31.36 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -46.26 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.69 -34.18 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.468 ' CG ' HD23 ' A' ' 105' ' ' LEU . 5.0 mmt -60.73 -47.62 85.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 m -64.83 -36.04 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.17 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.27 -21.01 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.33 46.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.81 123.95 10.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -82.92 122.89 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 mp -139.4 133.89 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.1 p -92.18 172.81 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' A' ' 121' ' ' VAL . 8.1 t70 -71.08 -26.12 62.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -36.21 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.97 -31.48 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.627 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 118' ' ' ASP . 11.0 p -73.73 -31.24 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -36.74 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 116' ' ' LEU . 3.1 mtp -64.57 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 129' ' ' ASP . 23.0 mt -81.01 -36.68 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -49.9 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.18 29.05 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.473 ' OD1' HG22 ' A' ' 125' ' ' ILE . 1.1 m-20 -115.77 101.44 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 140' ' ' GLU . 8.2 mt -73.85 -37.5 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -96.15 -20.22 18.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.52 81.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.48 -20.44 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.649 0.261 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.44 28.98 4.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -156.27 173.13 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.0 mt -123.03 130.3 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 177.69 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 53.8 t80 -60.27 -39.68 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.38 -40.82 96.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.519 ' HG3' HD12 ' A' ' 130' ' ' ILE . 30.8 mt-10 -65.45 -36.19 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -38.6 91.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 24.3 t -70.38 -47.75 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.43 -40.47 91.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.505 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.7 ttm -62.2 -43.27 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mmt -60.33 -36.85 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.0 m -104.59 31.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.3 p -81.03 160.67 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.1 mmtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -31.31 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 133.7 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -117.87 79.43 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.1 -31.11 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.55 -60.84 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.737 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.3 p -59.23 -32.28 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 -33.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.44 58.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.737 HD12 ' HA ' ' B' 1907 ' ' VAL . 30.7 mt -71.39 -30.51 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.21 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -69.14 -31.53 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.72 -31.17 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -79.4 -36.97 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.49 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.49 -27.81 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -57.41 -47.31 82.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.83 -31.92 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 32.1 t80 -63.02 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.56 -47.62 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.88 -35.97 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -58.34 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -31.07 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -59.89 175.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t 64.05 138.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.06 121.04 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.863 0.363 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 134.54 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.17 -49.88 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.653 ' HG3' HG11 ' A' ' 146' ' ' VAL . 32.2 mt-30 -58.84 -29.76 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -4.2 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.405 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' GLU . 69.6 m -86.1 10.84 13.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.408 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 86' ' ' ILE . 17.5 tt0 -43.46 -36.82 2.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.721 0.296 . . . . 0.0 111.511 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.54 -33.76 75.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' SER . 2.4 mt-10 -90.42 -52.37 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.74 -37.94 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 82' ' ' GLU . 7.0 tt -57.26 -40.48 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.199 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.0 mt-10 -61.95 -37.65 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -51.98 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -59.39 -36.8 66.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.4 -45.09 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -79.56 84.93 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -64.5 -27.45 68.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.48 -20.13 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.63 35.21 90.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.602 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -109.24 -21.93 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.2 -27.47 10.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.453 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.4 129.9 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.13 138.07 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.03 177.34 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.34 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.13 65.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -77.43 -30.75 53.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tp -73.68 -48.0 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -63.56 -30.4 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -35.26 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 105' ' ' LEU . 11.2 p -87.69 -31.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -43.27 93.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.3 t -62.72 -41.25 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.82 -41.82 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.1 -21.04 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.0 49.99 0.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -153.05 121.59 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.713 ' C ' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.96 117.6 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.863 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.1 mm? -125.85 150.85 47.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 121' ' ' VAL . 7.2 p -84.28 166.4 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -42.44 85.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.6 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 117' ' ' THR . 22.9 t -69.07 -47.54 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.69 -36.73 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.96 -29.09 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.38 -35.79 46.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 136' ' ' ILE . 38.5 mm -66.57 -40.72 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -71.2 -36.64 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.58 -30.5 65.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -91.5 -40.03 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.11 86.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.15 -21.64 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.302 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -20.25 65.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.76 92.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -110.81 -19.32 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 111.211 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.62 -25.97 12.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -110.0 133.03 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 125' ' ' ILE . 14.6 mt -82.02 137.0 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -171.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -75.44 -33.44 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -31.23 49.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.97 -33.8 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.66 -44.44 96.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 146' ' ' VAL . 12.2 m -63.47 -31.0 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -31.02 70.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 33.5 ttp -78.45 -35.7 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.56 75.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.653 HG11 ' HG3' ' A' ' 79' ' ' GLN . 21.9 m -94.64 -25.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.258 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m -56.14 -32.02 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.512 ' HB3' ' HB1' ' B' 1909 ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 60.09 31.78 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 15.8 mttp -154.12 79.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -61.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -37.01 81.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -53.53 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.587 ' O ' HG23 ' B' 1911 ' ' VAL . 25.3 m -57.07 -42.99 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1908 ' ' SER . . . . . 0.434 ' N ' HG23 ' B' 1907 ' ' VAL . 1.3 m -63.16 -36.65 84.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1909 ' ' ALA . . . . . 0.591 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -62.17 -40.66 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.249 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.4 mm -65.72 -36.74 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' 1907 ' ' VAL . 22.5 t -58.43 -32.68 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.591 HD12 ' HA ' ' B' 1909 ' ' ALA . 4.9 mt -78.81 -37.5 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -75.63 -31.41 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.99 -42.68 80.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.91 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.93 -30.71 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.18 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -32.05 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.483 ' HE2' HE21 ' B' 1923 ' ' GLN . 67.3 t80 -68.22 -44.98 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.62 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -39.33 54.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.4 tttm -71.78 -37.4 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1923 ' ' GLN . . . . . 0.483 HE21 ' HE2' ' B' 1919 ' ' TYR . 0.9 OUTLIER -63.84 -33.96 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 126.7 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.8 m -74.88 151.1 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 135.26 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -131.98 31.49 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -86.83 -36.66 18.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -61.04 -31.04 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -13.31 62.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.4 m -85.59 10.95 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.458 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -42.55 -43.44 3.74 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.783 0.325 . . . . 0.0 111.599 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.6 pt-20 -59.69 -32.52 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 110.701 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.8 tt0 -90.39 -45.42 9.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.873 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.31 -30.94 63.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.1 tt -59.14 -32.12 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 91' ' ' VAL . 38.6 mt-10 -68.22 -36.84 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.55 -34.46 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -65.83 -31.36 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -72.13 -38.88 69.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.6 t -67.08 -44.77 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD2' HG11 ' A' ' 108' ' ' VAL . 6.4 m-85 -60.2 -32.28 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.97 92.8 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -42.01 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -70.56 -20.28 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.97 38.6 96.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.565 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -103.97 -21.87 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.671 0.272 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.72 8.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -108.18 132.58 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.0 mt -99.72 136.56 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.16 178.67 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.592 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -65.37 -40.53 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.92 -30.86 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -74.52 -42.54 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -33.81 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HG3' HG21 ' A' ' 121' ' ' VAL . 1.3 ttm180 -78.63 -30.81 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -70.16 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.3 p -76.74 -33.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.503 ' SD ' HD13 ' A' ' 116' ' ' LEU . 3.6 mtt -65.25 -46.99 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.512 HG23 ' HE2' ' A' ' 115' ' ' LYS . 53.3 m -61.36 -37.02 81.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.44 -40.24 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.02 -20.99 65.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.03 47.2 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.0 105.71 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -80.46 127.07 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.503 HD13 ' SD ' ' A' ' 109' ' ' MET . 4.2 mp -140.75 140.23 34.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 121' ' ' VAL . 38.2 p -78.52 168.13 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.78 -45.63 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.96 93.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.02 -44.38 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 117' ' ' THR . 20.6 t -66.61 -49.41 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.527 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -58.67 -31.22 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.01 -31.97 69.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.64 ' HG2' HD11 ' B' 1912 ' ' ILE . 5.6 mtp -76.88 -33.18 57.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 102' ' ' ALA . 19.6 mt -72.24 -47.98 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -56.99 -39.24 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.88 -30.94 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.64 30.82 6.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.462 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -111.05 93.26 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.41 HD12 ' HG2' ' A' ' 140' ' ' GLU . 25.6 mt -74.19 -30.96 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -88.89 -20.24 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.03 44.72 90.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -110.41 -20.33 12.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 109.11 -5.34 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.804 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -109.97 164.73 12.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.95 122.84 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -97.56 167.32 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.3 t80 -58.24 -39.41 79.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.38 -33.74 75.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 130' ' ' ILE . 46.2 mt-10 -75.01 -32.45 61.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.71 -40.37 95.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -60.48 -46.08 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -32.89 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.631 ' SD ' HD13 ' B' 1912 ' ' ILE . 8.0 ttm -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -43.36 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 15.7 m -99.69 30.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -31.63 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -129.84 114.06 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -135.12 -178.47 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -169.68 -43.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.39 -37.71 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.88 -48.04 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' 1911 ' ' VAL . 18.5 m -62.04 -31.0 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -83.3 -23.42 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.38 -28.3 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.69 -30.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.348 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.734 HG13 ' O ' ' B' 1907 ' ' VAL . 30.0 m -68.96 -37.07 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.64 HD11 ' HG2' ' A' ' 124' ' ' MET . 42.6 mt -74.28 -42.51 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.48 -36.49 84.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.94 -36.48 84.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.538 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 6.6 t80 -73.86 -30.0 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -48.92 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -59.48 -33.84 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 -55.21 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.521 HD12 ' HD3' ' B' 1924 ' ' LYS . 3.3 mm? -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1921 ' ' LEU . . . . . 0.536 ' O ' HG22 ' B' 1925 ' ' VAL . 0.3 OUTLIER -64.3 -17.11 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 -23.16 22.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.18 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -51.69 3.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.239 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1924 ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' 1920 ' ' LEU . 0.0 OUTLIER -99.79 -33.57 10.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.536 HG22 ' O ' ' B' 1921 ' ' LEU . 21.9 t 69.27 -67.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.29 -55.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 25.9 mttt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.1 mtt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -172.02 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -141.94 -51.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.465 ' CG ' HG11 ' A' ' 146' ' ' VAL . 31.4 mt-30 -69.13 -30.18 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 0.09 53.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' GLU . 71.9 m -85.79 10.95 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.51 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.69 -30.18 0.89 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.701 0.286 . . . . 0.0 111.385 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -74.91 -33.78 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' SER . 2.3 mm-40 -90.51 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.744 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.431 HD23 ' OH ' ' B' 1916 ' ' TYR . 9.1 mt -52.67 -35.4 55.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.3 tt -64.29 -44.22 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 86' ' ' ILE . 16.4 tt0 -61.09 -32.14 71.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.41 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -65.32 -31.06 72.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -53.05 16.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 m -63.96 -31.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG11 ' A' ' 108' ' ' VAL . 1.1 m-85 -70.06 -46.24 65.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.34 91.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -69.94 -33.29 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.01 -20.25 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.81 36.99 93.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -109.71 -21.84 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.53 -19.68 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.716 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.34 139.97 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.08 129.72 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 p -101.33 -177.66 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.02 -52.0 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.91 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -64.98 -55.03 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -35.94 82.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -35.21 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -40.3 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.579 HG12 HD13 ' A' ' 112' ' ' LEU . 28.4 t -76.16 -32.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.9 -40.93 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.63 HG23 ' HE3' ' A' ' 115' ' ' LYS . 58.9 m -64.66 -36.83 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -70.81 -39.47 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 108' ' ' VAL . 3.6 mp -65.14 -21.01 66.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.583 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.41 109.94 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' HE3' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -82.0 112.68 19.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.1 mm? -112.87 149.9 32.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -89.02 169.71 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.36 -39.2 93.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -75.36 -34.97 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.6 mm-40 -63.36 -51.57 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 117' ' ' THR . 25.3 t -60.09 -46.7 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -59.48 -30.87 68.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -75.51 -36.76 60.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.498 ' SD ' HD11 ' B' 1912 ' ' ILE . 2.9 mtm -67.97 -31.16 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' A' ' 102' ' ' ALA . 20.1 mt -82.72 -37.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -33.09 66.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -78.68 -29.81 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.3 31.17 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.29 93.17 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.5 mt -77.92 -34.6 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -82.43 -20.25 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.17 74.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -90.48 -20.42 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.71 28.35 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -156.0 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.494 ' CG1' HG23 ' A' ' 125' ' ' ILE . 31.3 mt -95.34 124.08 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -99.38 174.25 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.1 t80 -60.21 -39.56 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.62 -35.77 75.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.49 -36.37 57.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.15 -32.03 70.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 138' ' ' TYR . 30.8 t -73.53 -32.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -73.4 -37.38 65.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -72.2 -38.88 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.44 -31.35 72.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 79' ' ' GLN . 34.7 m -87.44 -34.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -68.59 108.09 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.339 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.71 31.11 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.4 mttt -134.97 -168.66 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -168.08 90.82 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -91.33 -29.77 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1906 ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' 1910 ' ' ILE . 0.6 OUTLIER -59.29 -58.19 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.448 ' O ' HG22 ' B' 1911 ' ' VAL . 29.7 m -63.73 -28.02 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -81.66 -26.48 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -84.97 -33.91 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.411 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.457 HD12 ' N ' ' B' 1911 ' ' VAL . 2.5 pp -71.04 -38.89 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.395 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.457 ' N ' HD12 ' B' 1910 ' ' ILE . 3.4 m -62.29 -37.8 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.498 HD11 ' SD ' ' A' ' 124' ' ' MET . 41.2 mt -77.38 -30.44 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -34.75 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -74.83 -46.79 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.68 69.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.815 ' CZ ' HD11 ' B' 1920 ' ' LEU . 31.3 t80 -80.87 -31.32 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.99 -35.75 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 44.5 mtt85 -72.66 -38.11 67.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 44.0 t80 -60.51 -30.98 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.815 HD11 ' CZ ' ' B' 1916 ' ' TYR . 8.2 mp -83.24 -48.49 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -29.55 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -35.45 70.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -32.38 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.91 175.17 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 19.5 t 69.18 -67.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 2.0 tttt -169.04 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 21.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 131.31 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -86.51 -43.63 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -73.37 -38.03 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.09 -5.29 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.414 ' OG ' HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -88.56 10.16 21.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.433 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -94.79 -42.41 8.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -96.47 -20.33 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.346 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -86.58 -36.12 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD11 ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -82.06 -32.62 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.118 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.9 tt -59.02 -44.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.202 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' N ' HG23 ' A' ' 86' ' ' ILE . 17.0 mt-10 -69.78 -34.0 73.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.803 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -78.74 -27.05 44.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -74.68 -30.18 61.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -80.59 -39.12 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -69.85 -30.47 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.635 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.8 m-85 -60.07 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -64.88 93.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -42.13 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -69.4 -20.24 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.212 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 47.19 92.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -86.32 -11.37 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -27.01 9.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.59 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.1 179.94 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.75 98.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 p -78.23 -168.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.75 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.79 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.19 -40.48 94.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.59 -31.06 70.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -30.58 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 110' ' ' THR . 0.1 OUTLIER -65.07 -40.89 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.673 ' O ' HD23 ' A' ' 112' ' ' LEU . 15.6 m -78.63 -29.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.635 ' HE3' HG12 ' B' 1911 ' ' VAL . 4.4 mmt -69.0 -33.5 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 107' ' ' HIS . 7.9 t -75.14 -31.0 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.6 -35.17 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 108' ' ' VAL . 3.6 mm? -66.62 -21.06 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 47.93 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -152.75 119.67 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.29 143.41 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.88 HD21 HG11 ' B' 1911 ' ' VAL . 19.8 mt -148.85 133.56 17.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 121' ' ' VAL . 65.6 p -69.85 179.51 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.01 -31.12 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -40.25 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.73 -39.76 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 117' ' ' THR . 29.1 t -74.98 -49.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.13 -32.26 54.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -29.93 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.478 ' HG2' HD11 ' B' 1912 ' ' ILE . 2.9 mtp -75.86 -34.69 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.64 -46.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -44.37 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.198 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.98 -28.47 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.074 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 144' ' ' MET . . . -86.58 -27.03 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.381 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 72.55 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -60.35 -27.0 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.962 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.67 71.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.236 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.71 -20.49 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.597 0.237 . . . . 0.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.31 -21.52 35.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.865 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -109.73 129.82 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 144' ' ' MET . 33.9 mt -76.23 103.61 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.84 -177.46 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 142' ' ' VAL . 49.3 t80 -62.31 -42.31 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -43.89 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.08 -36.19 83.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -63.77 -30.4 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.1 t -65.35 -51.08 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.76 69.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.483 ' HE3' HD13 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -73.84 -49.46 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.4 mmt -59.96 -58.3 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 5.3 m -97.1 37.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p -61.76 -33.21 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -79.51 108.73 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.75 156.64 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.59 31.0 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.06 -31.08 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.48 -31.49 29.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -76.96 -31.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.45 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.94 -42.47 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.88 HG11 HD21 ' A' ' 116' ' ' LEU . 21.5 t -59.57 -32.73 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.478 HD11 ' HG2' ' A' ' 124' ' ' MET . 13.5 mt -80.15 -36.28 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -66.41 -31.5 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -50.58 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.43 -32.44 70.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 9.0 t80 -84.06 -28.41 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -58.4 -38.83 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -77.7 -32.82 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.7 -56.12 25.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.87 -41.93 96.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.07 -44.18 94.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -34.3 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -30.32 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.6 170.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.5 t -89.16 137.59 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 5.8 tttt -166.96 133.82 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 18.8 pttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -102.09 -39.02 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 71.18 -61.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.477 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -46.81 -37.97 9.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.497 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.04 -27.05 68.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' HG13 ' A' ' 142' ' ' VAL . 0.5 OUTLIER -93.89 10.2 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -54.99 3.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.24 -23.13 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.594 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.65 -56.94 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 111.158 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 142' ' ' VAL . 36.6 mt -57.77 -39.71 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.247 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.6 tt -57.01 -42.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.222 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' ILE . 3.5 tt0 -66.34 -36.43 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.71 -31.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.32 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.42 -45.0 92.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.4 t -72.14 -29.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -50.97 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 76.26 7.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.53 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -69.21 -19.9 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.407 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.19 38.14 22.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.83 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -22.33 18.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.735 0.303 . . . . 0.0 111.158 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 -30.24 8.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.416 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.3 OUTLIER -134.06 130.98 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.575 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 104' ' ' GLU . 2.9 mp -79.67 119.43 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -164.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.73 -26.17 57.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.96 -28.75 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 100' ' ' ILE . 26.4 mt-10 -75.84 -41.34 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 136' ' ' ILE . 1.3 tt -58.61 -52.35 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -29.69 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -41.55 88.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.47 -31.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.9 mmm -69.38 -39.7 77.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.1 m -69.71 -37.65 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.66 -41.79 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.76 -21.07 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.93 44.3 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 108.56 4.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 142.03 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -148.31 124.98 11.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 121' ' ' VAL . 58.7 p -61.82 174.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.04 -32.32 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -43.38 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.11 -46.02 91.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 117' ' ' THR . 28.5 t -64.67 -50.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -36.73 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.32 -29.09 70.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 mtp -81.96 -34.53 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.738 HG22 ' OD2' ' A' ' 129' ' ' ASP . 38.8 mm -64.91 -41.45 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -65.91 -42.68 89.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.5 -31.22 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -89.19 -31.55 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.738 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.7 OUTLIER -64.63 103.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 140' ' ' GLU . 33.5 mt -88.05 -30.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.14 -20.16 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.49 40.78 26.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 -20.37 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.706 0.288 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.68 32.26 6.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.623 ' HB3' HD13 ' A' ' 99' ' ' LEU . 46.1 m80 -148.36 145.56 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 125' ' ' ILE . 4.5 mt -106.24 121.27 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.17 -175.51 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.1 t80 -65.76 -38.43 89.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -39.3 87.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.406 ' HG2' HD12 ' A' ' 130' ' ' ILE . 25.5 mt-10 -75.49 -31.48 60.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.9 t -76.09 -37.63 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -49.0 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 47.4 ttp -66.24 -34.87 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.0 mmt -61.5 -51.92 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.2 m -98.08 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -83.71 160.96 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.807 0.337 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -68.51 131.84 45.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 8.2 mttt -82.52 167.32 18.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -81.34 -28.16 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.25 -37.95 73.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.97 -46.76 64.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.94 -27.65 69.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -83.43 -26.93 29.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.69 -45.98 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.311 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -57.84 -36.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.347 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.91 -50.85 50.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -62.47 -31.09 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.48 81.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.55 -29.44 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -45.24 90.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.55 -30.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1919 ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 91' ' ' VAL . 52.7 t80 -59.37 -53.53 57.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.19 -39.38 86.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.72 -28.03 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 11.7 mttm -79.25 -44.72 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.003 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.9 -46.39 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -102.25 128.18 48.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -122.71 135.28 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.65 104.42 15.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -166.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' CB ' HG22 ' A' ' 146' ' ' VAL . 0.3 OUTLIER 69.39 -65.4 0.3 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -54.36 -29.58 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -21.27 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -85.13 10.6 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.37 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -41.32 -55.62 2.68 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.706 0.289 . . . . 0.0 111.644 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 86' ' ' ILE . 80.6 mt-10 -49.0 -30.53 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.994 0.426 . . . . 0.0 110.893 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.77 -38.2 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD23 ' OH ' ' B' 1916 ' ' TYR . 13.8 mt -54.7 -24.63 22.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.699 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 83' ' ' GLU . 12.1 mt -63.05 -42.29 96.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.33 -32.76 68.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.75 -38.34 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.04 -30.72 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.38 -52.89 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 92' ' ' PHE . 28.5 m -60.24 -45.11 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.21 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 91' ' ' VAL . 5.1 m-85 -59.54 -47.18 86.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.45 92.37 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -75.45 -31.21 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -78.73 -20.11 50.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 41.8 98.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.75 -21.82 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.708 0.289 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -22.23 13.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.64 129.85 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 136' ' ' ILE . 18.9 mt -101.92 99.53 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.1 p -71.82 176.36 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.662 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.56 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.94 93.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.81 -31.26 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.1 -31.43 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -31.68 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 92' ' ' PHE . 23.2 m -84.16 -32.86 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.4 mmt -65.13 -38.8 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -34.04 29.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.92 -21.0 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.17 44.61 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.38 149.91 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 131.57 54.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.09 149.31 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.4 m -97.55 170.69 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' H ' HG22 ' A' ' 117' ' ' THR . 0.2 OUTLIER -61.62 -39.76 92.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -41.93 68.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.03 -49.21 78.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -62.75 -48.92 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -59.93 -38.23 81.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.756 ' HG2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -70.28 -35.19 73.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.709 HG22 ' OD2' ' A' ' 129' ' ' ASP . 21.2 mt -73.93 -40.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -34.44 74.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -31.43 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.18 31.29 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.709 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.78 99.21 8.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.45 -31.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.38 -20.17 22.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.74 85.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.67 -20.41 12.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.68 39.27 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -149.06 148.75 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 mt -111.0 102.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.24 -176.72 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.4 t80 -66.1 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -31.23 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -84.32 -31.51 24.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -63.02 -32.01 73.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 138' ' ' TYR . 27.5 t -74.08 -39.4 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -68.02 -44.45 76.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.576 ' SD ' HD13 ' B' 1912 ' ' ILE . 1.6 ttm -59.82 -41.65 91.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 146' ' ' VAL . 17.9 t -109.25 33.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.74 87.23 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.798 0.333 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 60.1 71.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.07 -39.53 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.98 62.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.47 -32.47 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.4 -31.21 33.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.752 ' O ' HG23 ' B' 1911 ' ' VAL . 21.6 t -63.56 -33.53 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.6 m -75.79 -27.67 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.84 -47.78 35.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.3 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 pt -57.46 -28.21 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.376 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' 1907 ' ' VAL . 25.4 t -62.79 -45.28 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.756 HD11 ' HG2' ' A' ' 124' ' ' MET . 3.7 mt -71.88 -35.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1913 ' ' GLN . . . . . 0.445 ' NE2' ' OE2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER -69.29 -43.43 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -42.18 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.88 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.56 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 17.4 t80 -70.42 -31.18 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 25.7 t80 -64.05 -43.71 94.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.423 HD11 ' CE2' ' B' 1916 ' ' TYR . 3.2 mt -72.36 -38.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.81 -31.69 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.03 58.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -86.87 -31.62 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 146.89 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1925 ' ' VAL . . . . . 0.406 HG23 ' N ' ' B' 1926 ' ' LYS . 5.9 m -137.1 -47.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1926 ' ' LYS . . . . . 0.406 ' N ' HG23 ' B' 1925 ' ' VAL . 3.0 mmtt -138.26 146.45 42.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.778 0.323 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 108.29 16.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.466 ' HB2' HG12 ' A' ' 146' ' ' VAL . 17.7 mm-40 -146.25 -46.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.4 -28.93 57.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.16 -3.12 44.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.43 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLU . 68.6 m -89.14 11.01 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.264 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -43.69 -30.85 0.68 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.812 0.339 . . . . 0.0 111.621 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 86' ' ' ILE . 11.9 pt-20 -75.12 -33.51 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -90.39 -50.55 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.04 -35.17 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 83' ' ' GLU . 10.3 tt -61.17 -34.06 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -67.96 -31.55 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -68.28 -34.4 76.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.74 -43.29 94.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.4 58.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.94 -38.96 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 108' ' ' VAL . 1.3 m-85 -63.97 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 91.08 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -40.82 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.55 -20.33 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.69 28.11 73.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.81 -21.87 17.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.314 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 24.84 5.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 135' ' ' HIS . 13.3 mt -146.88 145.12 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.04 112.59 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 t -89.23 -179.63 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -71.57 -34.29 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.77 -30.3 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 108' ' ' VAL . 33.7 mt-10 -79.47 -31.36 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -72.25 -37.45 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -28.53 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -39.34 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 92' ' ' PHE . 29.8 m -81.76 -30.37 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mmt -72.04 -43.11 65.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 t -59.94 -36.73 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.71 -39.59 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -20.96 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.13 48.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' HB2' ' B' 1915 ' ' ALA . 2.7 mm-40 -140.82 131.34 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 118.28 36.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.876 HD12 HG22 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -147.38 133.55 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -70.69 172.55 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 117' ' ' THR . 1.3 m-20 -60.0 -45.61 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.14 -42.42 94.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.77 -31.63 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.876 HG22 HD12 ' A' ' 116' ' ' LEU . 28.4 t -74.68 -48.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -30.92 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -36.9 56.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.799 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.0 OUTLIER -66.24 -37.01 84.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 134' ' ' GLY . 27.4 mt -73.82 -44.29 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.59 -27.59 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -30.44 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.42 -30.22 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.27 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.64 112.2 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 140' ' ' GLU . 20.2 mt -84.73 -29.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.25 -20.29 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.7 28.35 61.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.446 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.48 -20.35 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.725 0.298 . . . . 0.0 111.22 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.711 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 110.64 -24.61 16.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 99' ' ' LEU . 25.7 m80 -110.47 147.92 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ILE . . . . . 0.535 HG13 HG23 ' A' ' 125' ' ' ILE . 3.6 mt -91.81 91.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.16 159.74 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.6 t80 -54.57 -32.81 59.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.453 ' HB3' HD12 ' A' ' 130' ' ' ILE . 3.1 pt-20 -64.93 -25.33 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -56.95 -47.99 79.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.8 t -63.16 -39.49 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.04 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 ttm -60.08 -36.3 77.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -33.04 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 78' ' ' GLU . 31.3 m -109.96 30.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m -106.21 103.45 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.825 0.345 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 166.3 24.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 6.5 mttt -115.04 149.64 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -145.66 45.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.95 -34.99 64.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -58.76 7.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.872 ' HA ' HD12 ' B' 1910 ' ' ILE . 12.2 p -59.06 -30.45 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -32.15 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.49 62.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.872 HD12 ' HA ' ' B' 1907 ' ' VAL . 14.6 mt -69.88 -39.15 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' 1907 ' ' VAL . 24.6 t -59.74 -44.0 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.799 HD11 ' CG ' ' A' ' 124' ' ' MET . 4.3 mt -74.06 -32.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -35.42 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -47.44 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.654 ' HB2' ' HG3' ' A' ' 114' ' ' GLU . . . -59.65 -30.19 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.417 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 15.1 t80 -81.37 -30.53 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.13 -35.47 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -31.06 60.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -69.19 -31.18 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -32.33 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -39.14 92.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -70.21 -42.55 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -93.52 15.06 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.204 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.95 179.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 12.8 p -98.85 -30.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.29 133.51 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.74 95.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.492 ' HB2' HG12 ' A' ' 146' ' ' VAL . 2.0 mm-40 -109.03 -29.77 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.586 ' HG3' HG11 ' A' ' 146' ' ' VAL . 52.2 mt-30 -56.77 -27.63 59.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.46 -2.41 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.513 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLU . 72.1 m -87.66 10.92 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.313 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -44.27 -30.2 0.77 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mt-10 -75.42 -34.06 60.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.0 OUTLIER -90.2 -50.61 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.907 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 9.7 mt -52.52 -29.69 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 83' ' ' GLU . 12.2 tt -66.0 -30.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.29 -30.71 62.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.999 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -73.32 -26.99 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -70.66 -34.45 72.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.48 -44.73 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 88' ' ' ALA . 12.1 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CD1' HG11 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -60.34 -70.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.9 83.71 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.51 HH21 HG13 ' A' ' 108' ' ' VAL . 1.3 mpt_? -62.33 -29.17 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -69.48 -19.42 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.56 49.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.012 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -79.3 -22.48 44.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.713 ' O ' HD22 ' A' ' 99' ' ' LEU . . . 86.46 -12.93 59.58 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.637 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 98' ' ' GLY . 4.2 mm? -133.69 130.05 37.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.64 118.8 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 p -95.56 -179.34 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -68.87 -39.61 79.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.24 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -61.31 -64.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -26.19 8.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.269 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -42.1 85.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.215 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -84.28 -28.23 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.693 ' O ' HD13 ' A' ' 112' ' ' LEU . 41.4 t -68.58 -34.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.411 ' HB3' HD12 ' A' ' 116' ' ' LEU . 3.5 mmt -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 m -71.46 -41.27 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -66.0 -42.97 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.1 mp -63.32 -20.99 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.4 48.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -158.56 113.85 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -81.29 135.42 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 109' ' ' MET . 15.2 mt -144.47 151.49 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -91.73 165.32 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.23 -32.7 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.29 -37.0 53.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.402 ' HB3' HD22 ' A' ' 116' ' ' LEU . 1.5 mt-10 -62.97 -45.36 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 117' ' ' THR . 21.5 t -64.28 -44.34 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -59.6 -34.9 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.97 -32.01 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtp -77.28 -35.51 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 102' ' ' ALA . 17.9 mt -71.54 -44.68 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 126' ' ' ARG . 3.8 mtm105 -57.93 -42.67 85.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.13 -30.6 71.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -111.2 32.49 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.51 96.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.5 mt -78.48 -33.05 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.06 -20.25 32.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.06 35.1 88.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.427 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -107.79 -20.38 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.77 35.59 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -142.04 155.13 45.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -116.34 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -102.82 176.89 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.1 -35.82 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -32.7 68.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -83.56 -35.27 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.19 -40.73 91.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.5 m -67.72 -36.81 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.65 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -67.11 -39.94 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 142' ' ' VAL . 28.4 m -105.11 30.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p -70.94 145.02 50.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.836 0.351 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -101.21 127.11 47.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 10.6 mttp 64.11 -76.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.19 28.64 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.06 -37.64 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.62 -38.98 74.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.512 ' HA ' HD12 ' B' 1910 ' ' ILE . 32.1 t -60.17 -47.73 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 34.2 p -69.51 -30.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.78 92.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.512 HD12 ' HA ' ' B' 1907 ' ' VAL . 7.0 mt -63.62 -32.18 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' 1907 ' ' VAL . 21.8 t -58.51 -50.84 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.56 -36.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.69 -50.63 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1914 ' ' ARG . . . . . 0.508 ' HG3' HG22 ' B' 1910 ' ' ILE . 1.0 OUTLIER -66.88 -50.18 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.99 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.482 ' CE2' HD13 ' B' 1920 ' ' LEU . 9.4 t80 -83.48 -27.98 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -30.97 65.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -83.0 -38.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.71 -34.91 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.482 HD13 ' CE2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -75.68 -42.97 49.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -45.24 73.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -32.63 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.96 -31.73 70.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.68 -66.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 143.33 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.07 125.76 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 163.98 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.508 ' HB2' HG12 ' A' ' 146' ' ' VAL . 1.5 mt-10 -110.49 -31.27 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -86.33 -30.54 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -1.89 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.43 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' GLU . 2.4 p -88.49 10.94 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.342 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -44.48 -30.33 0.85 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.745 0.307 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 86' ' ' ILE . 39.4 mt-10 -74.91 -34.25 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG2' HD11 ' B' 1920 ' ' LEU . 1.4 mt-10 -90.29 -51.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 78' ' ' GLU . 8.5 mt -52.5 -33.28 44.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.6 tt -63.01 -31.28 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.97 -32.18 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -70.11 -29.46 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -72.69 -30.81 64.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -80.5 -43.84 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.8 p -69.64 -26.35 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HD13 ' A' ' 100' ' ' ILE . 1.6 m-85 -68.31 -40.55 81.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.09 77.08 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -76.77 -26.35 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.16 31.88 37.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.041 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -83.62 -22.42 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.711 0.291 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.73 -30.15 7.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 99' ' ' LEU . 3.6 mp -130.77 147.14 52.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.66 HD13 ' CD2' ' A' ' 92' ' ' PHE . 32.5 mt -77.56 105.98 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.188 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.3 p -81.52 -176.3 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.27 -28.07 61.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.198 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.32 -30.06 48.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.01 -29.97 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -64.94 -41.36 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.096 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -29.65 42.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 110' ' ' THR . 2.9 t60 -67.53 -38.65 84.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.08 -30.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.22 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -38.04 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 107' ' ' HIS . 11.3 t -67.15 -35.86 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -21.09 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.04 44.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -146.51 127.29 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -90.32 115.88 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.15 135.27 51.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.4 168.81 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -68.3 -24.53 64.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.65 -35.35 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -72.63 -31.28 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.407 HG22 HD11 ' A' ' 125' ' ' ILE . 14.0 p -72.4 -31.87 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -33.97 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.52 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -43.29 97.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.428 HG22 ' OD2' ' A' ' 129' ' ' ASP . 26.8 mt -72.42 -33.7 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -30.44 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.88 -30.0 40.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.82 -30.82 21.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -78.08 96.15 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.41 -27.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -89.61 9.8 25.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.363 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.79 23.91 23.94 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.624 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.36 -20.46 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.652 0.263 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.26 -17.08 58.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.692 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -116.16 162.71 17.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.03 104.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -83.65 172.56 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.1 t80 -57.63 -46.19 84.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.48 81.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.6 -43.24 85.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.11 -32.76 71.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 138' ' ' TYR . 28.5 t -69.87 -48.62 62.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -61.59 -38.58 88.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.438 ' SD ' HG21 ' B' 1912 ' ' ILE . 4.2 tmm? -71.8 -34.64 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' HD13 ' A' ' 85' ' ' LEU . 4.4 mmt -64.57 -51.23 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 78' ' ' GLU . 35.4 m -75.84 -25.08 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.339 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -55.4 126.1 23.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.872 0.367 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -123.18 -49.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.6 mttt -70.44 112.95 7.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.28 -46.89 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.07 -42.08 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.66 -41.11 89.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.593 ' HA ' HD12 ' B' 1910 ' ' ILE . 29.3 t -60.3 -48.26 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -60.88 -30.8 70.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.03 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1910 ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.2 mt -71.99 -38.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.455 HG13 HH21 ' B' 1914 ' ' ARG . 21.9 t -59.33 -40.45 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1912 ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 144' ' ' MET . 24.7 mm -80.08 -29.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -73.21 -35.35 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1914 ' ' ARG . . . . . 0.455 HH21 HG13 ' B' 1911 ' ' VAL . 29.4 ptt180 -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.88 76.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 31.3 t80 -87.92 -28.82 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -29.55 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -87.92 -35.66 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.17 -39.83 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1920 ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 84' ' ' GLU . 3.5 tp -75.54 -31.25 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -30.85 58.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 2.8 mttt -83.61 -45.78 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.0 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.95 139.2 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.0 p -127.55 138.35 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.8 133.51 55.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 26.8 pttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.874 0.368 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -158.53 139.58 13.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.663 ' HB3' HG12 ' A' ' 146' ' ' VAL . 2.8 mt-10 -135.07 -53.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.08 -23.97 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.969 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.8 -3.15 39.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.575 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.5 t -85.84 10.86 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.4 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.13 -30.63 0.79 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.693 0.282 . . . . 0.0 111.453 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.7 pt-20 -74.38 -34.1 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -90.22 -49.76 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 179.746 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -34.13 60.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.0 tt -61.91 -32.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.38 -31.54 70.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -72.66 -28.33 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.87 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -78.23 -49.34 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -59.31 -44.09 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 108' ' ' VAL . 4.3 m-85 -60.21 -52.32 65.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.08 83.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -30.17 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -78.9 -20.29 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.23 41.57 98.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -106.46 -21.98 12.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.38 -22.92 19.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.33 131.8 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -110.84 100.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -75.05 -179.61 4.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.3 -42.07 72.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -65.0 -29.97 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -85.19 -31.27 23.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.75 72.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 92' ' ' PHE . 20.6 m -88.65 -29.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.63 -40.26 92.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -67.62 -38.97 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -36.3 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.557 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.4 OUTLIER -68.13 -20.98 64.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.71 36.94 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.8 139.13 39.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -101.83 125.87 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -137.48 138.06 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.793 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -82.87 170.79 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.444 ' H ' HG22 ' A' ' 117' ' ' THR . 2.4 p30 -64.64 -41.19 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.66 -36.51 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.71 -38.84 87.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 117' ' ' THR . 29.0 t -75.62 -42.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -30.38 64.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.95 -30.01 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.7 mtp -73.17 -32.16 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 102' ' ' ALA . 36.5 mm -66.1 -46.14 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -61.16 -48.16 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.1 -29.31 70.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.23 -39.97 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.4 94.64 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 130' ' ' ILE . 3.0 mt -81.44 -3.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.514 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.58 -20.26 13.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 111.383 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.25 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.165 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.81 -20.54 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.4 89.28 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.146 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -129.59 133.05 46.96 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.9 mt -76.09 100.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -172.54 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -67.98 -52.02 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.47 -31.33 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -74.86 -37.88 62.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -64.28 -42.58 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.8 m -67.45 -35.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -39.35 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.34 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -40.47 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 78' ' ' GLU . 31.1 m -99.13 30.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -31.28 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.756 0.312 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -93.01 111.12 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 128.19 55.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.05 145.15 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.94 -30.64 15.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -36.74 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1907 ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' 1911 ' ' VAL . 24.0 t -75.62 -31.15 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.5 p -78.39 -30.78 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.95 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.96 -31.13 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1911 ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -68.35 -35.14 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 22.1 mt -80.93 -30.96 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.199 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -47.58 38.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.93 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1915 ' ' ALA . . . . . 0.557 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -60.61 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1916 ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 27.4 t80 -62.74 -27.19 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -57.13 -35.92 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -77.37 -31.53 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.46 -31.62 62.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -30.63 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -38.24 64.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.33 73.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.37 118.9 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.7 t -112.82 -67.16 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -131.55 153.73 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.4 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 86' ' ' ILE . 20.5 mt-10 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.769 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 86' ' ' ILE . 9.9 pt-20 -58.01 -37.97 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.772 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -90.88 -48.0 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 85' ' ' LEU . 2.9 mt -53.59 -29.0 35.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 82' ' ' GLU . 16.2 tt -74.93 -30.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.8 tt0 -75.02 -32.92 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -67.05 -30.97 71.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -55.66 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -28.91 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.628 HG21 ' OH ' ' B' 1919 ' ' TYR . 26.9 t -82.49 -33.45 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.0 m-85 -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -76.49 92.88 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -72.19 -35.12 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -72.69 -20.28 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.14 28.38 72.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.536 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -96.22 -22.03 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.1 9.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.507 HD22 ' CB ' ' A' ' 135' ' ' HIS . 8.5 mt -146.81 129.95 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -103.99 123.24 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.02 -176.86 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.69 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.85 -28.29 36.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 108' ' ' VAL . 41.7 mt-10 -77.04 -43.84 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.43 -50.69 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -59.24 -30.4 68.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.24 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 92' ' ' PHE . 21.5 t -74.8 -38.39 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.64 -36.25 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.3 m -64.5 -49.22 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.5 -39.11 88.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.436 HD13 HG12 ' A' ' 108' ' ' VAL . 6.6 mp -66.71 -21.1 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.58 48.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -147.13 119.16 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -88.4 125.17 34.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -138.44 137.75 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -82.53 166.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -31.34 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.98 -41.97 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.24 -40.14 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 117' ' ' THR . 30.4 t -70.02 -49.17 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.96 -30.13 58.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.61 -29.59 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.8 mtp -78.95 -32.04 45.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.26 -45.19 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -41.31 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.84 -30.17 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.78 14.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 104.65 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.97 -29.26 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.89 -20.25 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.59 40.45 38.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -109.03 -20.51 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.24 30.81 7.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.507 ' CB ' HD22 ' A' ' 99' ' ' LEU . 49.5 m80 -150.27 141.95 23.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.32 117.72 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 -169.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -65.95 -49.91 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.85 -32.72 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -80.65 -32.33 36.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.6 -49.45 76.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.787 ' O ' HG23 ' A' ' 146' ' ' VAL . 21.5 t -63.75 -40.47 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.32 -48.92 79.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.551 ' SD ' HD13 ' B' 1912 ' ' ILE . 3.4 ttm -60.08 -38.26 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -31.45 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 142' ' ' VAL . 15.0 t -97.94 29.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.518 ' O ' HG23 ' B' 1911 ' ' VAL . 34.3 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 41.1 m -60.35 -32.04 70.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.24 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.994 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.59 -37.69 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -59.3 -36.95 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.551 HD13 ' SD ' ' A' ' 144' ' ' MET . 29.6 mt -84.15 -38.22 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -45.66 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.733 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.39 81.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 6.9 t80 -75.33 -32.17 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.48 -43.62 96.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -65.32 -39.36 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.628 ' OH ' HG21 ' A' ' 91' ' ' VAL . 69.1 t80 -60.66 -37.02 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.728 0.299 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.61 -25.57 15.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.716 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.51 -47.56 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.424 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 145' ' ' MET . 28.5 mt -69.7 -33.03 71.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.4 tt -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.199 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 91' ' ' VAL . 19.4 tt0 -69.28 -38.2 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.27 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.53 -41.77 95.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.75 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.769 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -78.63 -37.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -46.05 78.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.29 81.49 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -68.49 -22.67 64.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -69.22 -20.25 63.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.95 33.78 86.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -109.16 -21.92 12.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.86 -28.61 10.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' ' 135' ' ' HIS . 4.1 mp -107.91 131.76 54.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mt -98.79 122.51 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.1 p -89.01 -178.93 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.53 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.33 -35.43 77.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 108' ' ' VAL . 36.6 mt-10 -63.75 -39.75 95.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.74 -37.77 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 112' ' ' LEU . 21.5 t -82.18 -34.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.24 -35.18 80.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -70.63 -33.43 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -39.82 49.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 108' ' ' VAL . 8.8 mp -66.38 -21.09 66.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.44 42.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -134.13 134.32 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -117.46 114.1 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -133.94 147.9 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 121' ' ' VAL . 3.0 p -69.07 178.52 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.4 -47.19 77.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.22 -36.53 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.86 -35.41 78.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 116' ' ' LEU . 31.5 t -71.87 -48.34 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.86 -34.64 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.69 -32.98 74.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 mtm -73.8 -32.45 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 136' ' ' ILE . 32.4 mm -71.08 -44.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -32.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.74 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.52 30.9 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.67 102.94 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.34 -52.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -82.79 -20.15 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.37 36.04 69.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -89.69 -20.28 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.48 30.24 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.644 ' HB2' HD23 ' A' ' 99' ' ' LEU . 72.6 m80 -152.0 179.99 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 125' ' ' ILE . 22.8 mt -135.93 107.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.29 -176.17 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.4 t80 -60.63 -46.79 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.83 -30.92 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -69.99 -32.97 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.7 t -69.1 -32.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -82.33 -32.7 29.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.7 ttm -65.1 -45.25 85.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 85' ' ' LEU . 35.8 tpp -80.09 -45.17 18.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 146' ' ' VAL . 21.6 t -96.36 39.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.849 0.356 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.2 m -80.24 -21.76 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -86.11 -38.73 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.239 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.87 -38.81 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.477 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -58.55 -43.87 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.477 ' N ' HG13 ' B' 1911 ' ' VAL . 29.2 mt -60.51 -35.97 66.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.75 -34.56 64.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.84 -30.92 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.51 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 8.3 t80 -70.86 -31.05 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -59.75 -30.62 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.987 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -81.41 -31.54 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.49 -34.55 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.958 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -96.53 -21.29 17.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.304 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -86.81 -51.85 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 145' ' ' MET . 37.9 mt -63.34 -41.07 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 tt -59.29 -37.87 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.26 -43.27 74.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.4 -29.96 61.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.39 -36.62 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -70.75 -36.47 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -40.7 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -70.61 -44.56 67.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 86.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -72.55 -30.95 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.49 -20.23 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.4 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -109.59 -21.93 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.641 0.257 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.03 30.83 7.64 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -145.21 129.9 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.45 120.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -93.81 171.57 8.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.556 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -60.36 -30.3 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.81 -27.69 33.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -74.19 -30.56 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.668 HD23 HG13 ' A' ' 121' ' ' VAL . 7.4 tp -70.51 -55.01 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.85 -29.77 67.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -39.13 86.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.5 t -83.04 -32.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.39 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.21 -34.78 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -21.15 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -154.15 115.19 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -92.17 136.18 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.29 142.94 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.9 m -77.76 166.05 23.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.77 -38.48 78.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.41 -31.32 57.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.24 -33.47 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.668 HG13 HD23 ' A' ' 105' ' ' LEU . 21.8 t -86.47 -37.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 125' ' ' ILE . 5.3 t70 -60.27 -31.38 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.7 -37.46 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.501 ' SD ' HD11 ' B' 1912 ' ' ILE . 50.3 mtm -65.74 -35.63 81.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.7 mt -71.01 -33.66 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -31.46 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.38 -31.22 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -88.58 -39.99 13.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.96 114.0 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 mt -90.04 -37.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.86 -20.2 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.63 34.33 72.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.564 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -85.98 -20.35 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.33 28.63 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -155.66 139.08 15.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.5 mt -83.17 122.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.08 174.77 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 142' ' ' VAL . 88.6 t80 -63.76 -54.14 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -31.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -36.05 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -69.03 -30.61 69.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -64.92 -31.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -45.99 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 2.2 ttp -62.28 -48.98 77.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -62.05 -39.78 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 146' ' ' VAL . 14.9 t -98.41 32.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.043 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.839 0.352 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -31.02 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.89 69.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.33 -30.39 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.96 -37.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.501 HD11 ' SD ' ' A' ' 124' ' ' MET . 28.4 mm -83.49 -31.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.67 -30.82 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -79.07 -30.71 44.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.45 73.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -70.47 -29.19 65.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -46.68 85.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -29.68 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.0 -56.88 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.719 0.295 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.466 ' C ' HG22 ' A' ' 86' ' ' ILE . 6.7 pt-20 -96.37 -27.66 14.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.319 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -90.18 -55.4 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.219 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.8 mt -58.45 -30.97 67.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 83' ' ' GLU . 14.7 tt -57.91 -38.87 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.9 -40.17 61.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.82 -30.77 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 26.2 t80 -64.09 -39.79 94.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.12 77.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.5 t -80.36 -33.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -34.07 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.0 83.46 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -65.48 -26.62 68.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -69.38 -20.26 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 32.41 80.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -105.03 -21.96 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.298 . . . . 0.0 111.159 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 -26.93 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.45 140.11 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.1 mt -116.84 122.9 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 p -88.81 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.97 56.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.04 -33.21 63.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.466 HD12 HD12 ' A' ' 136' ' ' ILE . 0.7 OUTLIER -71.68 -52.45 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 110' ' ' THR . 0.9 OUTLIER -59.72 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -36.16 78.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.34 -33.62 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.0 -44.84 87.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 106' ' ' ARG . 9.5 t -61.91 -35.04 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -38.88 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 32.51 2.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -125.74 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -96.79 115.2 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 114' ' ' GLU . 5.5 mp -130.66 156.0 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -96.06 168.37 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -44.63 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -32.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -52.74 48.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 117' ' ' THR . 22.5 t -63.65 -44.33 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.58 -39.27 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.06 -30.1 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -31.76 52.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 136' ' ' ILE . 33.9 mm -68.45 -37.4 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.59 -37.73 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.12 -31.49 71.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.527 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.88 -31.02 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 102.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.8 mt -86.98 -30.88 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.37 -20.23 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.74 40.53 45.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.48 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -97.16 -20.43 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.23 28.15 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -147.58 179.71 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 125' ' ' ILE . 32.8 mt -137.12 118.74 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.1 177.53 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.0 t80 -61.49 -39.97 92.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.83 -36.18 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.34 -31.43 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.8 -32.12 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 138' ' ' TYR . 26.4 t -74.98 -33.2 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -50.32 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.527 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 21.6 ttp -58.65 -39.49 80.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 145' ' ' MET . 35.3 tpp -60.97 -55.38 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 142' ' ' VAL . 16.1 m -97.56 39.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.849 0.357 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.512 ' HA ' HG22 ' B' 1911 ' ' VAL . 17.7 p -87.33 -4.89 59.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.475 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -79.88 -27.41 40.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.376 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 25.4 mm -87.55 -40.11 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' 1908 ' ' SER . 23.4 m -56.27 -30.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 21.9 mt -78.34 -47.09 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.204 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.94 -33.96 76.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -30.68 71.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.36 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 11.3 t80 -78.07 -28.38 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.05 86.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -73.12 -33.54 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.535 ' OH ' HG21 ' A' ' 91' ' ' VAL . 77.8 t80 -58.73 -30.0 67.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' 1920 ' ' LEU . 15.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -96.55 -27.08 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.62 -55.78 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.09 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.4 mt -57.75 -39.01 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.049 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.1 tt -59.62 -40.31 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 86' ' ' ILE . 1.8 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.73 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 1.5 t80 -60.03 -32.41 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -34.84 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.72 -34.99 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 108' ' ' VAL . 5.1 m-85 -69.86 -35.89 75.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 92.88 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.07 -36.34 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -94.2 -20.23 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.45 46.85 66.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -93.53 -21.81 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -26.49 9.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.52 139.79 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.46 144.6 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.37 -171.82 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.56 -32.78 36.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.14 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 125' ' ' ILE . 5.6 tp -69.68 -31.51 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -83.19 -27.13 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -29.7 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 92' ' ' PHE . 17.9 m -87.16 -28.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -36.42 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -66.14 -34.1 77.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -37.45 37.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -21.05 66.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.79 43.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.92 150.19 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.415 ' C ' HD22 ' A' ' 116' ' ' LEU . 2.9 mmpt? -113.46 116.83 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.5 mm? -126.32 140.03 52.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.6 m -85.35 168.42 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 117' ' ' THR . 5.4 p-10 -62.94 -40.89 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.7 -39.86 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.7 mt-10 -59.72 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 117' ' ' THR . 28.4 t -69.53 -47.79 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.98 -31.13 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -30.41 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -36.26 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.666 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.5 mm -68.73 -36.38 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.86 -47.21 87.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.16 -37.01 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.401 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -78.93 -35.47 43.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -64.32 102.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' A' ' 140' ' ' GLU . 35.5 mt -88.47 -30.63 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -87.39 -20.19 27.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.55 21.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.46 -20.41 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.05 -15.34 33.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.795 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -109.81 158.59 17.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.3 mt -108.92 139.67 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.29 173.22 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 142' ' ' VAL . 30.7 t80 -59.89 -40.65 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.1 -43.29 87.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' HG2' HD12 ' A' ' 130' ' ' ILE . 32.9 mt-10 -67.12 -34.21 77.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.26 -30.56 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -76.02 -31.88 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.02 -39.69 72.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 40.0 ttp -65.54 -56.64 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -64.43 -48.82 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 146' ' ' VAL . 19.1 t -96.97 38.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.673 ' O ' HG13 ' B' 1911 ' ' VAL . 25.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.862 0.363 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.4 m -78.89 -23.88 44.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.05 -32.85 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 27.5 pt -76.98 -38.56 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.384 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' 1907 ' ' VAL . 19.3 m -58.87 -40.79 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.419 HG12 HG23 ' B' 1911 ' ' VAL . 31.6 mm -77.2 -31.71 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -74.08 -48.42 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.86 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 3.9 t80 -66.04 -29.61 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -58.52 -31.17 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -78.44 -35.48 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.72 -32.81 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.718 0.294 . . . . 0.0 111.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -96.49 -22.18 17.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.572 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -85.36 -51.1 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.267 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -38.08 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.374 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.1 tt -58.32 -42.83 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.185 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.5 tt0 -67.55 -45.69 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.38 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -59.68 -40.32 87.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -41.36 78.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.35 -34.04 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.34 -53.79 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -71.48 83.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -69.34 -20.26 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.52 35.14 78.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.59 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -106.37 -22.02 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.86 -28.26 8.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.57 129.93 55.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.34 119.78 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.9 p -85.58 -174.62 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' HG11 ' A' ' 121' ' ' VAL . . . -74.3 -38.73 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -33.05 74.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 55.0 mt-10 -67.95 -36.08 79.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.432 HD23 ' CG ' ' A' ' 109' ' ' MET . 2.4 tt -65.69 -45.78 81.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 112' ' ' LEU . 25.7 t -79.48 -31.21 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.432 ' CG ' HD23 ' A' ' 105' ' ' LEU . 2.5 mmt -63.71 -42.54 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.9 m -65.06 -42.19 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -37.57 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.55 -21.07 65.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.19 41.23 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -144.55 135.26 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -114.94 127.47 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 121' ' ' VAL . 1.2 pt? -149.98 142.85 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -69.43 174.73 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.33 -37.7 78.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.16 -36.99 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 116' ' ' LEU . 27.1 t -71.95 -48.49 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -30.13 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.29 -34.88 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.2 mtm -73.54 -42.18 62.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.6 HD13 HD11 ' A' ' 136' ' ' ILE . 40.6 mm -64.08 -42.55 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -49.19 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.99 -36.26 80.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 144' ' ' MET . . . -77.83 -35.81 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.79 101.89 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -87.91 -28.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -92.26 13.44 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.14 25.24 17.48 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.679 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.73 -20.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.599 0.237 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.33 -13.66 64.58 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.801 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -112.31 155.28 24.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.889 0.376 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 125' ' ' ILE . 31.2 mt -96.58 105.05 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.96 -177.59 5.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.733 ' O ' HG23 ' A' ' 142' ' ' VAL . 24.5 t80 -64.13 -44.62 91.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -38.6 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.54 -30.72 68.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.99 -30.6 65.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 138' ' ' TYR . 25.7 t -69.45 -37.08 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -77.73 -34.92 52.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 128' ' ' ALA . 1.2 ttm -64.4 -61.66 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 11.9 tpp -63.61 -46.5 85.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 146' ' ' VAL . 4.8 t -96.04 39.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.773 0.32 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -73.16 -24.85 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.514 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -85.89 -34.03 21.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.46 -44.64 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' 1912 ' ' ILE . 12.2 p -58.69 -43.08 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' 1909 ' ' ALA . 27.6 mt -60.1 -46.74 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.55 -44.62 81.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.63 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -74.03 -29.12 61.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -58.32 -30.27 66.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -32.63 26.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.1 t80 -62.25 -31.23 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 56.0 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.766 0.317 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.39 -22.8 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.422 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.6 -56.04 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 111.059 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.538 HD22 ' HG3' ' A' ' 145' ' ' MET . 29.6 mt -58.55 -40.21 82.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 tt -59.94 -34.99 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -76.73 -46.62 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -59.22 -30.46 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -45.1 96.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -62.67 -34.45 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.62 -36.79 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.8 -48.41 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -65.69 86.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -70.23 -31.61 69.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -75.15 -20.2 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.43 95.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -109.55 -21.88 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 -10.89 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 11.1 mt -114.22 134.05 55.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mt -107.75 117.64 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 168.08 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.64 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 106' ' ' ARG . . . -63.55 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.449 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 33.2 mt-10 -85.75 -22.5 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.23 -11.52 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.664 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 103' ' ' ALA . 1.8 ppt_? -89.84 -32.99 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.248 . . . . 0.0 111.353 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.621 ' CD2' HG13 ' A' ' 108' ' ' VAL . 2.9 p-80 -75.53 -30.67 59.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.816 0.341 . . . . 0.0 111.062 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.621 HG13 ' CD2' ' A' ' 107' ' ' HIS . 19.5 m -75.0 -34.42 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' 1911 ' ' VAL . 0.0 OUTLIER -72.6 -30.98 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.7 m -68.71 -36.81 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.5 -39.38 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 108' ' ' VAL . 5.0 mp -64.77 -21.15 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.05 50.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.93 162.92 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 121.45 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.759 HD12 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -150.0 146.05 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -82.03 172.92 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . 0.5 OUTLIER -59.07 -43.97 91.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.1 -40.79 95.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -34.44 76.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG22 HD12 ' A' ' 116' ' ' LEU . 21.4 t -73.08 -46.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -29.99 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -29.92 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 116' ' ' LEU . 23.3 mtm -79.34 -39.34 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 136' ' ' ILE . 35.6 mm -68.26 -39.84 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -64.59 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.03 -30.83 58.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -86.19 -39.18 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.1 108.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.98 -32.03 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -73.47 -20.2 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 43.82 63.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -109.0 -20.27 13.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.278 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.48 -25.07 14.15 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 38.4 m80 -109.86 137.02 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 125' ' ' ILE . 29.6 mt -88.35 125.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.42 -170.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 142' ' ' VAL . 84.1 t80 -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.39 -31.35 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.25 -31.92 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.16 -31.08 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.7 t -67.9 -51.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.42 -30.74 68.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 3.3 tmm? -75.38 -41.78 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.538 ' HG3' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -67.04 -51.5 53.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 142' ' ' VAL . 21.1 m -98.42 33.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' 1911 ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.841 0.353 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -60.35 -34.87 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -68.42 -36.13 78.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.45 -37.84 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -56.6 -29.66 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.285 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.8 mm -88.7 -29.3 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -81.23 -32.91 33.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -41.67 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.55 76.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 16.2 t80 -61.07 -30.32 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -37.76 77.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -69.9 -31.02 68.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.77 -35.56 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.807 0.337 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -85.68 -20.13 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.505 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -86.2 -48.01 8.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.184 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 145' ' ' MET . 37.8 mt -70.0 -39.28 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.219 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -56.89 -35.45 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.25 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -74.14 -30.87 62.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -76.13 -30.31 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CD1' HD11 ' A' ' 100' ' ' ILE . 11.9 t80 -59.95 -39.72 86.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -63.24 -43.63 97.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -46.82 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.23 -42.37 93.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.95 92.92 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -69.14 -42.34 76.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -84.65 -20.17 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.22 33.2 84.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.563 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -79.7 -21.94 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.574 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 108.14 24.91 6.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 98' ' ' GLY . 3.3 mp -161.15 162.47 31.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.41 HD11 ' CD1' ' A' ' 89' ' ' PHE . 31.7 mt -126.47 107.47 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.7 p -85.14 175.11 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.466 ' HB2' HG13 ' A' ' 125' ' ' ILE . . . -64.96 -42.52 94.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.22 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.2 mt-10 -79.13 -34.11 43.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.43 -48.04 52.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -61.88 -32.95 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -39.03 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 104' ' ' GLU . 27.6 t -79.26 -33.65 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.38 -36.67 83.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.7 m -64.01 -41.7 97.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.3 -31.96 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.6 OUTLIER -67.79 -21.04 65.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.42 37.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 118.72 10.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 122.11 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.44 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 2.9 mp -141.26 121.42 13.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.55 179.99 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.4 -21.91 57.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -42.71 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.16 -32.89 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.01 -37.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -35.15 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -30.83 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CD2' ' A' ' 116' ' ' LEU . 1.8 mtm -77.49 -42.93 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 136' ' ' ILE . 43.3 mm -61.96 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -61.47 -36.75 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -30.62 71.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.63 -28.51 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.422 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -69.59 91.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.4 mt -78.04 -30.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -84.18 -20.28 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.57 45.92 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.18 -20.37 12.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.58 28.56 8.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -149.77 140.39 22.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.474 HD11 HD13 ' A' ' 125' ' ' ILE . 25.6 mt -94.87 126.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.63 169.23 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.838 ' O ' HG23 ' A' ' 142' ' ' VAL . 25.0 t80 -59.28 -33.54 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.54 -31.5 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.56 -38.13 34.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.96 -31.46 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -66.51 -51.36 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -60.16 -34.42 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -49.96 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.414 ' HG2' HD21 ' A' ' 85' ' ' LEU . 1.4 tpt -62.58 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.2 m -98.33 32.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.697 ' O ' HG23 ' B' 1911 ' ' VAL . 11.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.348 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 58.8 m -87.04 -28.25 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.05 -35.31 61.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.23 -32.91 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.257 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' 1907 ' ' VAL . 37.4 t -67.46 -44.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.6 -35.59 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -33.37 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -69.45 -43.31 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -63.05 -45.49 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 10.1 t80 -66.76 -29.49 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.13 -34.97 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.14 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.24 -39.01 85.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 . . . . . 0 N--CA 1.463 0.199 0 CA-C-O 120.789 0.328 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mm-40 -74.79 -34.39 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -90.07 -50.46 5.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.863 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.05 -33.92 54.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.064 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -59.55 -31.74 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.4 tt0 -68.57 -35.85 77.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -63.77 -35.77 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.24 -40.27 96.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -67.48 -35.94 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 87' ' ' GLU . 27.3 t -69.18 -32.6 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.649 ' HA ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -79.84 -31.04 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.36 92.95 8.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -74.78 -37.11 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -69.48 -20.22 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.48 33.76 82.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.427 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -100.78 -21.91 15.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.5 26.63 5.3 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.573 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 135' ' ' HIS . 6.6 mt -161.28 130.35 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -99.14 131.79 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -170.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -73.0 -38.34 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.26 72.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.638 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -65.85 -52.23 52.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.4 -44.04 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -36.71 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -44.79 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 92' ' ' PHE . 31.4 t -67.78 -36.56 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.77 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 m -71.57 -40.0 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.8 -43.12 66.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.462 HD13 HG12 ' A' ' 108' ' ' VAL . 6.3 mp -60.69 -21.03 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.58 34.36 2.88 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.71 152.74 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 141.41 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -144.89 149.98 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.1 p -78.4 168.83 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.78 -37.68 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.73 -31.25 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -37.34 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 117' ' ' THR . 34.9 t -70.84 -41.83 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.69 -30.28 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -40.0 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 ttm -61.62 -44.46 96.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 102' ' ' ALA . 24.8 mt -69.71 -39.17 77.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.64 -27.88 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.01 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 -30.74 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.294 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 103.65 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.503 HD12 ' CG ' ' A' ' 140' ' ' GLU . 4.9 mt -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.31 -20.27 34.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.74 54.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -92.01 -20.38 21.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.36 -24.48 25.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.514 ' CB ' HD22 ' A' ' 99' ' ' LEU . 8.9 m80 -109.83 143.3 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.483 ' O ' HD23 ' A' ' 99' ' ' LEU . 14.5 mt -82.8 131.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.459 HD22 HD21 ' A' ' 99' ' ' LEU . 1.8 t-20 -101.5 175.7 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -59.94 -55.2 37.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.12 -40.21 80.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.503 ' CG ' HD12 ' A' ' 130' ' ' ILE . 13.8 mt-10 -60.12 -41.71 93.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -60.01 -31.86 70.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.89 -35.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.491 ' HG3' HD11 ' A' ' 130' ' ' ILE . 11.4 mmt180 -66.56 -37.02 84.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.652 ' SD ' HD13 ' B' 1912 ' ' ILE . 24.8 ttm -61.45 -49.18 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -48.87 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 146' ' ' VAL . 12.6 t -100.57 34.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.422 ' O ' HG13 ' B' 1911 ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 75.0 m -86.89 -22.7 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.01 -28.93 22.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -30.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.502 HG23 HG13 ' B' 1912 ' ' ILE . 26.6 m -74.98 -29.47 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.652 HD13 ' SD ' ' A' ' 144' ' ' MET . 24.7 mt -85.57 -31.0 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.69 -35.19 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -68.08 -31.83 71.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.02 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.574 ' CE2' HD11 ' B' 1920 ' ' LEU . 38.1 t80 -80.19 -30.66 38.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.6 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -76.46 -33.13 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.82 -34.3 73.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . 0.574 HD11 ' CE2' ' B' 1916 ' ' TYR . 30.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.739 0.305 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.1 pt-20 -74.61 -34.48 62.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.27 -50.72 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 145' ' ' MET . 8.3 mt -53.01 -33.56 52.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -60.82 -31.67 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -72.4 -31.12 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.96 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -69.52 -31.43 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -53.73 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 -25.68 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 108' ' ' VAL . 1.4 m-85 -75.65 -36.22 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.04 89.45 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.02 -36.82 69.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.52 -20.17 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.59 36.26 91.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -107.7 -21.97 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.701 0.286 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.56 -22.02 13.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.611 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.0 mt -106.37 147.2 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.3 mt -122.48 109.71 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.76 176.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.26 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.37 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.9 mt-10 -80.41 -45.44 17.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 125' ' ' ILE . 5.6 tp -58.41 -47.39 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -29.69 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -76.64 -33.12 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 112' ' ' LEU . 21.4 t -76.84 -47.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.1 -29.27 65.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 m -62.99 -65.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -60.23 -30.19 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.959 HD23 ' HB1' ' B' 1915 ' ' ALA . 1.0 OUTLIER -64.7 -21.06 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 31.52 4.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.469 ' OE2' HG13 ' B' 1911 ' ' VAL . 0.9 OUTLIER -140.5 114.48 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' C ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -85.73 118.76 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.513 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.5 mp -126.93 137.61 53.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -77.87 167.92 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 117' ' ' THR . 1.6 m-20 -60.32 -40.07 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.03 -34.77 57.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.2 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 117' ' ' THR . 22.0 t -85.33 -43.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -29.14 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -30.01 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.711 ' HE2' HD11 ' B' 1912 ' ' ILE . 1.5 mtp -72.07 -40.62 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 136' ' ' ILE . 41.0 mm -64.12 -42.46 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.02 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.58 -30.38 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' HD12 ' A' ' 136' ' ' ILE . . . -87.86 -27.95 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 105.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 mt -87.87 -30.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -88.79 -20.33 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 45.33 58.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -110.28 -20.38 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.658 0.266 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.85 32.92 4.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -156.83 145.38 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.647 HD11 HG23 ' A' ' 125' ' ' ILE . 31.8 mm -95.85 115.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.94 172.07 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -59.52 -32.02 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -25.25 56.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -89.46 -28.41 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -71.67 -30.77 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.07 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 143' ' ' ARG . 10.8 p -73.17 -41.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 142' ' ' VAL . 16.2 mmm180 -65.96 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.64 -32.08 71.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.44 ' HG2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -67.6 -43.08 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.39 -31.58 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.697 ' HA ' HD12 ' B' 1910 ' ' ILE . 21.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.798 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 45.2 p -73.27 -30.87 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -71.07 -31.19 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.697 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.3 mt -70.17 -30.75 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 114' ' ' GLU . 21.4 t -65.33 -42.43 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.711 HD11 ' HE2' ' A' ' 124' ' ' MET . 24.9 mm -78.33 -31.01 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -75.31 -35.82 61.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . 0.412 ' HG3' HG22 ' B' 1910 ' ' ILE . 3.2 mtp180 -71.8 -39.25 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.959 ' HB1' HD23 ' A' ' 112' ' ' LEU . . . -63.34 -45.63 90.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 28.3 t80 -64.13 -29.95 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -41.82 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -28.22 59.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 39.8 t80 -57.65 -43.02 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 N--CA 1.463 0.223 0 CA-C-O 120.697 0.284 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 86' ' ' ILE . 49.7 mt-10 -74.76 -34.66 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -90.11 -50.37 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.0 mt -53.26 -33.32 52.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.6 tt -60.63 -31.58 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.18 -31.55 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.87 68.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -36.71 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 m -64.85 -34.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.93 -37.28 81.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.2 92.9 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.27 -54.16 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -74.05 -20.23 60.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.84 60.67 7.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.654 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.87 6.64 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.78 -24.55 27.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.272 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 155.76 41.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -96.31 93.8 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.85 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.73 87.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.13 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 109' ' ' MET . 3.1 tt -74.97 -50.7 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -31.36 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -46.26 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.69 -34.18 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.468 ' CG ' HD23 ' A' ' 105' ' ' LEU . 5.0 mmt -60.73 -47.62 85.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 m -64.83 -36.04 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.17 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.27 -21.01 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.33 46.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.81 123.95 10.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -82.92 122.89 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 mp -139.4 133.89 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.1 p -92.18 172.81 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' A' ' 121' ' ' VAL . 8.1 t70 -71.08 -26.12 62.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -36.21 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.97 -31.48 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.627 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 118' ' ' ASP . 11.0 p -73.73 -31.24 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -36.74 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 116' ' ' LEU . 3.1 mtp -64.57 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 129' ' ' ASP . 23.0 mt -81.01 -36.68 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -49.9 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.18 29.05 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.473 ' OD1' HG22 ' A' ' 125' ' ' ILE . 1.1 m-20 -115.77 101.44 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 140' ' ' GLU . 8.2 mt -73.85 -37.5 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -96.15 -20.22 18.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.52 81.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.48 -20.44 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.649 0.261 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.44 28.98 4.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -156.27 173.13 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.0 mt -123.03 130.3 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 177.69 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 53.8 t80 -60.27 -39.68 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.38 -40.82 96.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.519 ' HG3' HD12 ' A' ' 130' ' ' ILE . 30.8 mt-10 -65.45 -36.19 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -38.6 91.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 24.3 t -70.38 -47.75 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.43 -40.47 91.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.505 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.7 ttm -62.2 -43.27 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mmt -60.33 -36.85 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.0 m -104.59 31.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.737 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.3 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 -33.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.44 58.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.737 HD12 ' HA ' ' B' 1907 ' ' VAL . 30.7 mt -71.39 -30.51 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.21 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -69.14 -31.53 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.72 -31.17 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -79.4 -36.97 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.49 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.49 -27.81 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -57.41 -47.31 82.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.83 -31.92 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 32.1 t80 -63.02 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 86' ' ' ILE . 17.5 tt0 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.721 0.296 . . . . 0.0 111.511 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.54 -33.76 75.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -90.42 -52.37 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.74 -37.94 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 82' ' ' GLU . 7.0 tt -57.26 -40.48 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.199 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.0 mt-10 -61.95 -37.65 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -51.98 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -59.39 -36.8 66.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.4 -45.09 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -79.56 84.93 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -64.5 -27.45 68.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.48 -20.13 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.63 35.21 90.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.602 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -109.24 -21.93 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.2 -27.47 10.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.453 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.4 129.9 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.13 138.07 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.03 177.34 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.34 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.13 65.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -77.43 -30.75 53.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tp -73.68 -48.0 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -63.56 -30.4 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -35.26 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 105' ' ' LEU . 11.2 p -87.69 -31.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -43.27 93.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.3 t -62.72 -41.25 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.82 -41.82 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.1 -21.04 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.0 49.99 0.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -153.05 121.59 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.713 ' C ' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.96 117.6 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.863 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.1 mm? -125.85 150.85 47.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 121' ' ' VAL . 7.2 p -84.28 166.4 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -42.44 85.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.6 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 117' ' ' THR . 22.9 t -69.07 -47.54 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.69 -36.73 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.96 -29.09 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.38 -35.79 46.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 136' ' ' ILE . 38.5 mm -66.57 -40.72 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -71.2 -36.64 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.58 -30.5 65.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -91.5 -40.03 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.11 86.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.15 -21.64 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.302 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -20.25 65.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.76 92.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -110.81 -19.32 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 111.211 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.62 -25.97 12.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -110.0 133.03 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 125' ' ' ILE . 14.6 mt -82.02 137.0 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -171.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -75.44 -33.44 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -31.23 49.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.97 -33.8 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.66 -44.44 96.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 146' ' ' VAL . 12.2 m -63.47 -31.0 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -31.02 70.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 33.5 ttp -78.45 -35.7 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.56 75.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 142' ' ' VAL . 21.9 m -94.64 -25.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.258 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.587 ' O ' HG23 ' B' 1911 ' ' VAL . 25.3 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.855 0.359 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . 0.434 ' N ' HG23 ' B' 1907 ' ' VAL . 1.3 m -63.16 -36.65 84.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . 0.591 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -62.17 -40.66 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.249 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.4 mm -65.72 -36.74 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' 1907 ' ' VAL . 22.5 t -58.43 -32.68 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.591 HD12 ' HA ' ' B' 1909 ' ' ALA . 4.9 mt -78.81 -37.5 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -75.63 -31.41 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.99 -42.68 80.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.91 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.93 -30.71 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.18 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -32.05 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -68.22 -44.98 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.783 0.325 . . . . 0.0 111.599 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.6 pt-20 -59.69 -32.52 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 110.701 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -90.39 -45.42 9.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.873 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.31 -30.94 63.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.1 tt -59.14 -32.12 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 91' ' ' VAL . 38.6 mt-10 -68.22 -36.84 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.55 -34.46 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -65.83 -31.36 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -72.13 -38.88 69.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.6 t -67.08 -44.77 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD2' HG11 ' A' ' 108' ' ' VAL . 6.4 m-85 -60.2 -32.28 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.97 92.8 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -42.01 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -70.56 -20.28 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.97 38.6 96.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.565 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -103.97 -21.87 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.671 0.272 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.72 8.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -108.18 132.58 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.0 mt -99.72 136.56 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.16 178.67 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.592 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -65.37 -40.53 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.92 -30.86 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -74.52 -42.54 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -33.81 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HG3' HG21 ' A' ' 121' ' ' VAL . 1.3 ttm180 -78.63 -30.81 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -70.16 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.3 p -76.74 -33.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.503 ' SD ' HD13 ' A' ' 116' ' ' LEU . 3.6 mtt -65.25 -46.99 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.512 HG23 ' HE2' ' A' ' 115' ' ' LYS . 53.3 m -61.36 -37.02 81.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.44 -40.24 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.02 -20.99 65.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.03 47.2 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.0 105.71 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -80.46 127.07 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.503 HD13 ' SD ' ' A' ' 109' ' ' MET . 4.2 mp -140.75 140.23 34.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 121' ' ' VAL . 38.2 p -78.52 168.13 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.78 -45.63 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.96 93.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.02 -44.38 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 117' ' ' THR . 20.6 t -66.61 -49.41 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.527 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -58.67 -31.22 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.01 -31.97 69.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.64 ' HG2' HD11 ' B' 1912 ' ' ILE . 5.6 mtp -76.88 -33.18 57.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 102' ' ' ALA . 19.6 mt -72.24 -47.98 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -56.99 -39.24 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.88 -30.94 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.64 30.82 6.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.462 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -111.05 93.26 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.41 HD12 ' HG2' ' A' ' 140' ' ' GLU . 25.6 mt -74.19 -30.96 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -88.89 -20.24 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.03 44.72 90.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -110.41 -20.33 12.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 109.11 -5.34 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.804 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -109.97 164.73 12.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.95 122.84 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -97.56 167.32 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.3 t80 -58.24 -39.41 79.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.38 -33.74 75.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 130' ' ' ILE . 46.2 mt-10 -75.01 -32.45 61.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.71 -40.37 95.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -60.48 -46.08 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -32.89 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.631 ' SD ' HD13 ' B' 1912 ' ' ILE . 8.0 ttm -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -43.36 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 15.7 m -99.69 30.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' 1911 ' ' VAL . 18.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.855 0.36 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -83.3 -23.42 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.38 -28.3 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.69 -30.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.348 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.734 HG13 ' O ' ' B' 1907 ' ' VAL . 30.0 m -68.96 -37.07 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.64 HD11 ' HG2' ' A' ' 124' ' ' MET . 42.6 mt -74.28 -42.51 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.48 -36.49 84.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.94 -36.48 84.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.538 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 6.6 t80 -73.86 -30.0 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -48.92 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -59.48 -33.84 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 -55.21 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.701 0.286 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -74.91 -33.78 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.51 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.744 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.431 HD23 ' OH ' ' B' 1916 ' ' TYR . 9.1 mt -52.67 -35.4 55.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.3 tt -64.29 -44.22 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 86' ' ' ILE . 16.4 tt0 -61.09 -32.14 71.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.41 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -65.32 -31.06 72.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -53.05 16.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 m -63.96 -31.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG11 ' A' ' 108' ' ' VAL . 1.1 m-85 -70.06 -46.24 65.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.34 91.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -69.94 -33.29 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.01 -20.25 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.81 36.99 93.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -109.71 -21.84 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.53 -19.68 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.716 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.34 139.97 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.08 129.72 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 p -101.33 -177.66 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.02 -52.0 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.91 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -64.98 -55.03 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -35.94 82.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -35.21 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -40.3 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.579 HG12 HD13 ' A' ' 112' ' ' LEU . 28.4 t -76.16 -32.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.9 -40.93 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.63 HG23 ' HE3' ' A' ' 115' ' ' LYS . 58.9 m -64.66 -36.83 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -70.81 -39.47 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 108' ' ' VAL . 3.6 mp -65.14 -21.01 66.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.583 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.41 109.94 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.63 ' HE3' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -82.0 112.68 19.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.1 mm? -112.87 149.9 32.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -89.02 169.71 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.36 -39.2 93.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -75.36 -34.97 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.6 mm-40 -63.36 -51.57 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 117' ' ' THR . 25.3 t -60.09 -46.7 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -59.48 -30.87 68.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -75.51 -36.76 60.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.498 ' SD ' HD11 ' B' 1912 ' ' ILE . 2.9 mtm -67.97 -31.16 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' A' ' 102' ' ' ALA . 20.1 mt -82.72 -37.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -33.09 66.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -78.68 -29.81 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.3 31.17 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.29 93.17 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.5 mt -77.92 -34.6 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -82.43 -20.25 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.17 74.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -90.48 -20.42 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.71 28.35 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -156.0 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.494 ' CG1' HG23 ' A' ' 125' ' ' ILE . 31.3 mt -95.34 124.08 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -99.38 174.25 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.1 t80 -60.21 -39.56 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.62 -35.77 75.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.49 -36.37 57.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.15 -32.03 70.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 138' ' ' TYR . 30.8 t -73.53 -32.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -73.4 -37.38 65.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -72.2 -38.88 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.44 -31.35 72.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 142' ' ' VAL . 34.7 m -87.44 -34.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.448 ' O ' HG22 ' B' 1911 ' ' VAL . 29.7 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.757 0.313 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -81.66 -26.48 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -84.97 -33.91 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.411 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.457 HD12 ' N ' ' B' 1911 ' ' VAL . 2.5 pp -71.04 -38.89 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.395 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.457 ' N ' HD12 ' B' 1910 ' ' ILE . 3.4 m -62.29 -37.8 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.498 HD11 ' SD ' ' A' ' 124' ' ' MET . 41.2 mt -77.38 -30.44 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -34.75 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -74.83 -46.79 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.68 69.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.815 ' CZ ' HD11 ' B' 1920 ' ' LEU . 31.3 t80 -80.87 -31.32 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.99 -35.75 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 44.5 mtt85 -72.66 -38.11 67.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 44.0 t80 -60.51 -30.98 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . 0.815 HD11 ' CZ ' ' B' 1916 ' ' TYR . 8.2 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.019 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -96.47 -20.33 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.346 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -86.58 -36.12 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 34.0 mt -82.06 -32.62 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.118 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.9 tt -59.02 -44.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.202 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' N ' HG23 ' A' ' 86' ' ' ILE . 17.0 mt-10 -69.78 -34.0 73.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.803 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -78.74 -27.05 44.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -74.68 -30.18 61.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -80.59 -39.12 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -69.85 -30.47 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.635 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.8 m-85 -60.07 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -64.88 93.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -42.13 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -69.4 -20.24 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.212 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 47.19 92.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -86.32 -11.37 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -27.01 9.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.59 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.1 179.94 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.75 98.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 p -78.23 -168.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.75 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.79 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.19 -40.48 94.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.59 -31.06 70.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -30.58 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 110' ' ' THR . 0.1 OUTLIER -65.07 -40.89 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.673 ' O ' HD23 ' A' ' 112' ' ' LEU . 15.6 m -78.63 -29.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.635 ' HE3' HG12 ' B' 1911 ' ' VAL . 4.4 mmt -69.0 -33.5 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 107' ' ' HIS . 7.9 t -75.14 -31.0 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.6 -35.17 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 108' ' ' VAL . 3.6 mm? -66.62 -21.06 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 47.93 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -152.75 119.67 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.29 143.41 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.88 HD21 HG11 ' B' 1911 ' ' VAL . 19.8 mt -148.85 133.56 17.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 121' ' ' VAL . 65.6 p -69.85 179.51 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.01 -31.12 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -40.25 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.73 -39.76 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 117' ' ' THR . 29.1 t -74.98 -49.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.13 -32.26 54.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -29.93 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.478 ' HG2' HD11 ' B' 1912 ' ' ILE . 2.9 mtp -75.86 -34.69 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.64 -46.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -44.37 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.198 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.98 -28.47 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.074 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 144' ' ' MET . . . -86.58 -27.03 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.381 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 72.55 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -60.35 -27.0 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.962 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.67 71.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.236 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.71 -20.49 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.597 0.237 . . . . 0.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.31 -21.52 35.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.865 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -109.73 129.82 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 144' ' ' MET . 33.9 mt -76.23 103.61 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.84 -177.46 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 142' ' ' VAL . 49.3 t80 -62.31 -42.31 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -43.89 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.08 -36.19 83.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -63.77 -30.4 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.1 t -65.35 -51.08 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.76 69.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.483 ' HE3' HD13 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -73.84 -49.46 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.4 mmt -59.96 -58.3 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 5.3 m -97.1 37.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.45 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.94 -42.47 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.88 HG11 HD21 ' A' ' 116' ' ' LEU . 21.5 t -59.57 -32.73 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.478 HD11 ' HG2' ' A' ' 124' ' ' MET . 13.5 mt -80.15 -36.28 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -31.5 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -50.58 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.43 -32.44 70.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 9.0 t80 -84.06 -28.41 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -58.4 -38.83 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -77.7 -32.82 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.7 -56.12 25.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.5 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.24 -23.13 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.594 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.65 -56.94 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 111.158 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 142' ' ' VAL . 36.6 mt -57.77 -39.71 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.247 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.6 tt -57.01 -42.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.222 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' ILE . 3.5 tt0 -66.34 -36.43 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.71 -31.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.32 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.42 -45.0 92.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.4 t -72.14 -29.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -50.97 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 76.26 7.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.53 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -69.21 -19.9 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.407 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.19 38.14 22.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.83 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -22.33 18.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.735 0.303 . . . . 0.0 111.158 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 -30.24 8.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.416 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.3 OUTLIER -134.06 130.98 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.575 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 104' ' ' GLU . 2.9 mp -79.67 119.43 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -164.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.73 -26.17 57.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.96 -28.75 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 100' ' ' ILE . 26.4 mt-10 -75.84 -41.34 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 136' ' ' ILE . 1.3 tt -58.61 -52.35 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -29.69 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -41.55 88.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.47 -31.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.9 mmm -69.38 -39.7 77.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.1 m -69.71 -37.65 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -41.79 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.76 -21.07 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.93 44.3 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 108.56 4.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 142.03 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -148.31 124.98 11.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 121' ' ' VAL . 58.7 p -61.82 174.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.04 -32.32 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -43.38 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.11 -46.02 91.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 117' ' ' THR . 28.5 t -64.67 -50.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -36.73 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.32 -29.09 70.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 mtp -81.96 -34.53 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.738 HG22 ' OD2' ' A' ' 129' ' ' ASP . 38.8 mm -64.91 -41.45 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -65.91 -42.68 89.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.5 -31.22 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -89.19 -31.55 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.738 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.7 OUTLIER -64.63 103.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 140' ' ' GLU . 33.5 mt -88.05 -30.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.14 -20.16 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.49 40.78 26.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 -20.37 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.706 0.288 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.68 32.26 6.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.623 ' HB3' HD13 ' A' ' 99' ' ' LEU . 46.1 m80 -148.36 145.56 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 125' ' ' ILE . 4.5 mt -106.24 121.27 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.17 -175.51 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.1 t80 -65.76 -38.43 89.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -39.3 87.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.406 ' HG2' HD12 ' A' ' 130' ' ' ILE . 25.5 mt-10 -75.49 -31.48 60.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.9 t -76.09 -37.63 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -49.0 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 47.4 ttp -66.24 -34.87 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.0 mmt -61.5 -51.92 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.2 m -98.08 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.84 0.352 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.94 -27.65 69.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -83.43 -26.93 29.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.69 -45.98 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.311 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -57.84 -36.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.347 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.91 -50.85 50.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -62.47 -31.09 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.48 81.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.55 -29.44 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -45.24 90.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.55 -30.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 91' ' ' VAL . 52.7 t80 -59.37 -53.53 57.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.706 0.289 . . . . 0.0 111.644 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 86' ' ' ILE . 80.6 mt-10 -49.0 -30.53 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.994 0.426 . . . . 0.0 110.893 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.77 -38.2 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD23 ' OH ' ' B' 1916 ' ' TYR . 13.8 mt -54.7 -24.63 22.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.699 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 83' ' ' GLU . 12.1 mt -63.05 -42.29 96.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.33 -32.76 68.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.75 -38.34 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.04 -30.72 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.38 -52.89 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 92' ' ' PHE . 28.5 m -60.24 -45.11 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.21 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 91' ' ' VAL . 5.1 m-85 -59.54 -47.18 86.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.45 92.37 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -75.45 -31.21 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -78.73 -20.11 50.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 41.8 98.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.75 -21.82 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.708 0.289 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -22.23 13.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.64 129.85 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 136' ' ' ILE . 18.9 mt -101.92 99.53 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.1 p -71.82 176.36 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.662 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.56 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.94 93.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.81 -31.26 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.1 -31.43 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -31.68 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 92' ' ' PHE . 23.2 m -84.16 -32.86 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.4 mmt -65.13 -38.8 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -34.04 29.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.92 -21.0 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.17 44.61 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.38 149.91 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 131.57 54.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.09 149.31 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.4 m -97.55 170.69 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.449 ' H ' HG22 ' A' ' 117' ' ' THR . 0.2 OUTLIER -61.62 -39.76 92.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -41.93 68.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.03 -49.21 78.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -62.75 -48.92 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -59.93 -38.23 81.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.756 ' HG2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -70.28 -35.19 73.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.709 HG22 ' OD2' ' A' ' 129' ' ' ASP . 21.2 mt -73.93 -40.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -34.44 74.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -31.43 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.18 31.29 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.709 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.78 99.21 8.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.45 -31.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.38 -20.17 22.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.74 85.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.67 -20.41 12.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.68 39.27 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -149.06 148.75 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 mt -111.0 102.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.24 -176.72 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.4 t80 -66.1 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -31.23 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -84.32 -31.51 24.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -63.02 -32.01 73.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 138' ' ' TYR . 27.5 t -74.08 -39.4 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -68.02 -44.45 76.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.576 ' SD ' HD13 ' B' 1912 ' ' ILE . 1.6 ttm -59.82 -41.65 91.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 146' ' ' VAL . 17.9 t -109.25 33.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.752 ' O ' HG23 ' B' 1911 ' ' VAL . 21.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.799 0.333 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.6 m -75.79 -27.67 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.84 -47.78 35.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.3 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 pt -57.46 -28.21 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.376 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' 1907 ' ' VAL . 25.4 t -62.79 -45.28 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.756 HD11 ' HG2' ' A' ' 124' ' ' MET . 3.7 mt -71.88 -35.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -43.43 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -42.18 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.88 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.56 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 17.4 t80 -70.42 -31.18 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 25.7 t80 -64.05 -43.71 94.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . 0.423 HD11 ' CE2' ' B' 1916 ' ' TYR . 3.2 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.463 0.192 0 CA-C-O 120.812 0.339 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 86' ' ' ILE . 11.9 pt-20 -75.12 -33.51 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.39 -50.55 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.04 -35.17 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 83' ' ' GLU . 10.3 tt -61.17 -34.06 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -67.96 -31.55 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -68.28 -34.4 76.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.74 -43.29 94.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.4 58.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.94 -38.96 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 108' ' ' VAL . 1.3 m-85 -63.97 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 91.08 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -40.82 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.55 -20.33 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.69 28.11 73.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.81 -21.87 17.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.314 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 24.84 5.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 135' ' ' HIS . 13.3 mt -146.88 145.12 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.04 112.59 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 t -89.23 -179.63 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -71.57 -34.29 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.77 -30.3 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 108' ' ' VAL . 33.7 mt-10 -79.47 -31.36 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -72.25 -37.45 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -28.53 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -39.34 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 92' ' ' PHE . 29.8 m -81.76 -30.37 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mmt -72.04 -43.11 65.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 t -59.94 -36.73 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.71 -39.59 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -20.96 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.13 48.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' HB2' ' B' 1915 ' ' ALA . 2.7 mm-40 -140.82 131.34 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 118.28 36.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.876 HD12 HG22 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -147.38 133.55 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -70.69 172.55 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 117' ' ' THR . 1.3 m-20 -60.0 -45.61 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.14 -42.42 94.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.77 -31.63 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.876 HG22 HD12 ' A' ' 116' ' ' LEU . 28.4 t -74.68 -48.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -30.92 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -36.9 56.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.799 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.0 OUTLIER -66.24 -37.01 84.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 134' ' ' GLY . 27.4 mt -73.82 -44.29 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.59 -27.59 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -30.44 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.42 -30.22 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.27 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.64 112.2 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 140' ' ' GLU . 20.2 mt -84.73 -29.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.25 -20.29 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.7 28.35 61.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.446 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.48 -20.35 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.725 0.298 . . . . 0.0 111.22 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.711 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 110.64 -24.61 16.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 99' ' ' LEU . 25.7 m80 -110.47 147.92 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . 0.535 HG13 HG23 ' A' ' 125' ' ' ILE . 3.6 mt -91.81 91.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.16 159.74 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.6 t80 -54.57 -32.81 59.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.453 ' HB3' HD12 ' A' ' 130' ' ' ILE . 3.1 pt-20 -64.93 -25.33 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -56.95 -47.99 79.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.8 t -63.16 -39.49 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.04 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 ttm -60.08 -36.3 77.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -33.04 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.96 30.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.872 ' HA ' HD12 ' B' 1910 ' ' ILE . 12.2 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.812 0.339 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -32.15 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.49 62.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.872 HD12 ' HA ' ' B' 1907 ' ' VAL . 14.6 mt -69.88 -39.15 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' 1907 ' ' VAL . 24.6 t -59.74 -44.0 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.799 HD11 ' CG ' ' A' ' 124' ' ' MET . 4.3 mt -74.06 -32.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -35.42 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -47.44 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.654 ' HB2' ' HG3' ' A' ' 114' ' ' GLU . . . -59.65 -30.19 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.417 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 15.1 t80 -81.37 -30.53 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.13 -35.47 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -31.06 60.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -69.19 -31.18 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 N--CA 1.463 0.175 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mt-10 -75.42 -34.06 60.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.2 -50.61 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mt -52.52 -29.69 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 83' ' ' GLU . 12.2 tt -66.0 -30.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.29 -30.71 62.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.999 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -73.32 -26.99 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -70.66 -34.45 72.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.48 -44.73 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 88' ' ' ALA . 12.1 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CD1' HG11 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -60.34 -70.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.9 83.71 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.51 HH21 HG13 ' A' ' 108' ' ' VAL . 1.3 mpt_? -62.33 -29.17 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -69.48 -19.42 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.56 49.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.012 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -22.48 44.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 0.0 111.231 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.713 ' O ' HD22 ' A' ' 99' ' ' LEU . . . 86.46 -12.93 59.58 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.637 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 98' ' ' GLY . 4.2 mm? -133.69 130.05 37.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.64 118.8 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 p -95.56 -179.34 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -68.87 -39.61 79.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.24 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 9.3 mt-10 -61.31 -64.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -26.19 8.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.269 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -42.1 85.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.215 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 3.3 p-80 -84.28 -28.23 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.693 ' O ' HD13 ' A' ' 112' ' ' LEU . 41.4 t -68.58 -34.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.411 ' HB3' HD12 ' A' ' 116' ' ' LEU . 3.5 mmt -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 m -71.46 -41.27 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -66.0 -42.97 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.1 mp -63.32 -20.99 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.4 48.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -158.56 113.85 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -81.29 135.42 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 109' ' ' MET . 15.2 mt -144.47 151.49 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -91.73 165.32 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.23 -32.7 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.29 -37.0 53.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.402 ' HB3' HD22 ' A' ' 116' ' ' LEU . 1.5 mt-10 -62.97 -45.36 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 117' ' ' THR . 21.5 t -64.28 -44.34 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -59.6 -34.9 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.97 -32.01 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtp -77.28 -35.51 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 102' ' ' ALA . 17.9 mt -71.54 -44.68 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 126' ' ' ARG . 3.8 mtm105 -57.93 -42.67 85.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.13 -30.6 71.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -111.2 32.49 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.51 96.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.5 mt -78.48 -33.05 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.06 -20.25 32.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.06 35.1 88.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.427 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -107.79 -20.38 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.77 35.59 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -142.04 155.13 45.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -116.34 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -102.82 176.89 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.1 -35.82 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -32.7 68.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -83.56 -35.27 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.19 -40.73 91.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.5 m -67.72 -36.81 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.65 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -67.11 -39.94 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 142' ' ' VAL . 28.4 m -105.11 30.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.512 ' HA ' HD12 ' B' 1910 ' ' ILE . 32.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.865 0.364 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 34.2 p -69.51 -30.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.78 92.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.512 HD12 ' HA ' ' B' 1907 ' ' VAL . 7.0 mt -63.62 -32.18 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' 1907 ' ' VAL . 21.8 t -58.51 -50.84 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.56 -36.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.69 -50.63 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . 0.508 ' HG3' HG22 ' B' 1910 ' ' ILE . 1.0 OUTLIER -66.88 -50.18 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.99 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.482 ' CE2' HD13 ' B' 1920 ' ' LEU . 9.4 t80 -83.48 -27.98 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -30.97 65.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -83.0 -38.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.71 -34.91 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . 0.482 HD13 ' CE2' ' B' 1916 ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.745 0.307 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 86' ' ' ILE . 39.4 mt-10 -74.91 -34.25 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG2' HD11 ' B' 1920 ' ' LEU . 1.4 mt-10 -90.29 -51.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.443 HD13 ' HG3' ' A' ' 145' ' ' MET . 8.5 mt -52.5 -33.28 44.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.6 tt -63.01 -31.28 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.97 -32.18 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -70.11 -29.46 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -72.69 -30.81 64.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -80.5 -43.84 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.8 p -69.64 -26.35 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HD13 ' A' ' 100' ' ' ILE . 1.6 m-85 -68.31 -40.55 81.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.09 77.08 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -76.77 -26.35 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.16 31.88 37.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.041 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -83.62 -22.42 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.711 0.291 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.73 -30.15 7.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 99' ' ' LEU . 3.6 mp -130.77 147.14 52.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.66 HD13 ' CD2' ' A' ' 92' ' ' PHE . 32.5 mt -77.56 105.98 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.188 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.3 p -81.52 -176.3 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.27 -28.07 61.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.198 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.32 -30.06 48.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.01 -29.97 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -64.94 -41.36 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.096 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -29.65 42.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 110' ' ' THR . 2.9 t60 -67.53 -38.65 84.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.08 -30.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.22 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -38.04 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 107' ' ' HIS . 11.3 t -67.15 -35.86 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -21.09 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.04 44.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -146.51 127.29 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -90.32 115.88 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.15 135.27 51.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.4 168.81 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -68.3 -24.53 64.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.65 -35.35 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -72.63 -31.28 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.407 HG22 HD11 ' A' ' 125' ' ' ILE . 14.0 p -72.4 -31.87 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -33.97 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.52 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -43.29 97.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.428 HG22 ' OD2' ' A' ' 129' ' ' ASP . 26.8 mt -72.42 -33.7 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -30.44 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.88 -30.0 40.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.82 -30.82 21.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -78.08 96.15 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.41 -27.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -89.61 9.8 25.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.363 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.79 23.91 23.94 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.624 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.36 -20.46 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.652 0.263 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.26 -17.08 58.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.692 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -116.16 162.71 17.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.03 104.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.65 172.56 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.1 t80 -57.63 -46.19 84.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.48 81.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.6 -43.24 85.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.11 -32.76 71.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 138' ' ' TYR . 28.5 t -69.87 -48.62 62.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -61.59 -38.58 88.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.438 ' SD ' HG21 ' B' 1912 ' ' ILE . 4.2 tmm? -71.8 -34.64 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' HD13 ' A' ' 85' ' ' LEU . 4.4 mmt -64.57 -51.23 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.84 -25.08 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.339 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.045 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.593 ' HA ' HD12 ' B' 1910 ' ' ILE . 29.3 t . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -60.88 -30.8 70.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.03 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.2 mt -71.99 -38.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.455 HG13 HH21 ' B' 1914 ' ' ARG . 21.9 t -59.33 -40.45 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 144' ' ' MET . 24.7 mm -80.08 -29.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -73.21 -35.35 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . 0.455 HH21 HG13 ' B' 1911 ' ' VAL . 29.4 ptt180 -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.88 76.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 31.3 t80 -87.92 -28.82 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -29.55 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -87.92 -35.66 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.17 -39.83 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 84' ' ' GLU . 3.5 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.693 0.282 . . . . 0.0 111.453 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.7 pt-20 -74.38 -34.1 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.22 -49.76 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -34.13 60.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.0 tt -61.91 -32.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.38 -31.54 70.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -72.66 -28.33 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.87 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -78.23 -49.34 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -59.31 -44.09 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 108' ' ' VAL . 4.3 m-85 -60.21 -52.32 65.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.08 83.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -30.17 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -78.9 -20.29 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.23 41.57 98.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -106.46 -21.98 12.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.38 -22.92 19.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.33 131.8 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -110.84 100.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -75.05 -179.61 4.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.3 -42.07 72.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -65.0 -29.97 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -85.19 -31.27 23.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.75 72.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 92' ' ' PHE . 20.6 m -88.65 -29.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.63 -40.26 92.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -67.62 -38.97 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -36.3 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.557 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.4 OUTLIER -68.13 -20.98 64.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.71 36.94 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.8 139.13 39.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -101.83 125.87 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -137.48 138.06 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.793 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -82.87 170.79 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.444 ' H ' HG22 ' A' ' 117' ' ' THR . 2.4 p30 -64.64 -41.19 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.66 -36.51 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.71 -38.84 87.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 117' ' ' THR . 29.0 t -75.62 -42.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -30.38 64.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.95 -30.01 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.7 mtp -73.17 -32.16 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 102' ' ' ALA . 36.5 mm -66.1 -46.14 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -61.16 -48.16 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.1 -29.31 70.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.23 -39.97 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.4 94.64 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 130' ' ' ILE . 3.0 mt -81.44 -3.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.514 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.58 -20.26 13.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 111.383 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.25 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.165 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.81 -20.54 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.4 89.28 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.146 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -129.59 133.05 46.96 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.9 mt -76.09 100.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -172.54 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -67.98 -52.02 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.47 -31.33 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -74.86 -37.88 62.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -64.28 -42.58 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.8 m -67.45 -35.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -39.35 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.34 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -40.47 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 142' ' ' VAL . 31.1 m -99.13 30.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1907 ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' 1911 ' ' VAL . 24.0 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.788 0.328 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.5 p -78.39 -30.78 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.95 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.96 -31.13 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1911 ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -68.35 -35.14 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 22.1 mt -80.93 -30.96 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.199 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -47.58 38.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.93 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1915 ' ' ALA . . . . . 0.557 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -60.61 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1916 ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 27.4 t80 -62.74 -27.19 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -57.13 -35.92 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -77.37 -31.53 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.827 0.346 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.24 98.95 6.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.888 ' HB3' HG22 ' A' ' 146' ' ' VAL . 5.8 mp0 -124.45 -53.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -59.56 -31.18 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -82.93 -18.01 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.345 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.497 ' HB3' HD21 ' A' ' 85' ' ' LEU . 10.9 m -60.07 -14.53 17.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.275 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' O ' HG22 ' A' ' 86' ' ' ILE . 20.5 mt-10 -39.35 -41.8 0.97 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 111.769 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 86' ' ' ILE . 9.9 pt-20 -58.01 -37.97 75.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.409 . . . . 0.0 110.772 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' SER . 8.2 mt-10 -90.88 -48.0 7.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.661 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 85' ' ' LEU . 2.9 mt -53.59 -29.0 35.33 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 82' ' ' GLU . 16.2 tt -74.93 -30.2 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.563 ' O ' HG23 ' A' ' 91' ' ' VAL . 5.8 tt0 -75.02 -32.92 61.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -67.05 -30.97 71.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -55.66 31.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -28.91 60.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.628 HG21 ' OH ' ' B' 1919 ' ' TYR . 26.9 t -82.49 -33.45 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.123 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 108' ' ' VAL . 4.0 m-85 -80.39 -41.98 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -76.49 92.88 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -72.19 -35.12 68.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -72.69 -20.28 61.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.14 28.38 72.81 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.536 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.6 p-10 -96.22 -22.03 17.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.696 0.284 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.64 24.1 9.59 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.46 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.507 HD22 ' CB ' ' A' ' 135' ' ' HIS . 8.5 mt -146.81 129.95 16.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.791 0.329 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.5 mt -103.99 123.24 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.02 -176.86 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.35 -30.69 64.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.85 -28.29 36.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' O ' HG23 ' A' ' 108' ' ' VAL . 41.7 mt-10 -77.04 -43.84 33.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 tt -63.43 -50.69 68.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.516 ' HB3' HG21 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -59.24 -30.4 68.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.24 89.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.481 HG21 ' CD1' ' A' ' 92' ' ' PHE . 21.5 t -74.8 -38.39 44.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 3.1 mmt -59.64 -36.25 76.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.3 m -64.5 -49.22 72.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.5 -39.11 88.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.436 HD13 HG12 ' A' ' 108' ' ' VAL . 6.6 mp -66.71 -21.1 66.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 103.58 48.56 1.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -147.13 119.16 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -88.4 125.17 34.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 mp -138.44 137.75 37.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.682 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -82.53 166.58 19.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -31.34 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -78.98 -41.97 27.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.24 -40.14 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 117' ' ' THR . 30.4 t -70.02 -49.17 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.96 -30.13 58.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -71.61 -29.59 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 10.8 mtp -78.95 -32.04 45.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.26 -45.19 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -41.31 97.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.84 -30.17 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.95 -30.78 14.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.221 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.88 104.65 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 23.8 mt -89.97 -29.26 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -83.89 -20.25 33.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.59 40.45 38.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.264 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -109.03 -20.51 13.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.24 30.81 7.18 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.507 ' CB ' HD22 ' A' ' 99' ' ' LEU . 49.5 m80 -150.27 141.95 23.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.32 117.72 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.44 -169.5 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -65.95 -49.91 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -59.85 -32.72 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -80.65 -32.33 36.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.6 -49.45 76.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.807 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.787 ' O ' HG23 ' A' ' 146' ' ' VAL . 21.5 t -63.75 -40.47 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.047 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.32 -48.92 79.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.551 ' SD ' HD13 ' B' 1912 ' ' ILE . 3.4 ttm -60.08 -38.26 82.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -31.45 59.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.888 HG22 ' HB3' ' A' ' 78' ' ' GLU . 15.0 t -97.94 29.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.19 84.13 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.915 0.388 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.04 -13.58 11.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.414 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 9.2 mttm 78.93 -52.21 0.45 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.615 0.245 . . . . 0.0 111.181 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 68.96 42.19 1.34 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.08 -36.87 85.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.745 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -83.01 -48.68 10.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.518 ' O ' HG23 ' B' 1911 ' ' VAL . 34.3 t -59.33 -41.97 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 41.1 m -60.35 -32.04 70.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -70.35 -35.24 73.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.994 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.6 mt -68.59 -37.69 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -59.3 -36.95 66.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.551 HD13 ' SD ' ' A' ' 144' ' ' MET . 29.6 mt -84.15 -38.22 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -45.66 83.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.729 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 -64.24 -40.29 95.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.733 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.7 -38.39 81.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 6.9 t80 -75.33 -32.17 60.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.769 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 -60.48 -43.62 96.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -65.32 -39.36 92.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.708 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.628 ' OH ' HG21 ' A' ' 91' ' ' VAL . 69.1 t80 -60.66 -37.02 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.749 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.9 -46.14 46.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.812 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.62 -28.31 69.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.86 -48.26 9.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -48.16 57.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.5 tttt -71.83 72.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 6.8 m -68.37 -28.76 41.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 69.2 -66.6 0.25 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.5 mtm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.8 0.333 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.89 152.29 18.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.43 -57.8 1.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -73.02 -39.84 65.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -26.38 68.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.069 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -6.32 43.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.455 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.45 -34.01 17.65 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.728 0.299 . . . . 0.0 111.285 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -96.61 -25.57 15.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.716 -179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -86.51 -47.56 9.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.424 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.545 HD21 ' HG2' ' A' ' 145' ' ' MET . 28.5 mt -69.7 -33.03 71.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.351 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.4 tt -59.62 -40.79 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.199 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 91' ' ' VAL . 19.4 tt0 -69.28 -38.2 78.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.27 71.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -60.53 -41.77 95.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.75 -38.04 89.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.769 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -78.63 -37.36 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -66.3 -46.05 78.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -81.29 81.49 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -68.49 -22.67 64.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -69.22 -20.25 63.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.95 33.78 86.69 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.486 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 49.6 p-10 -109.16 -21.92 12.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.738 0.304 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 109.86 -28.61 10.34 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.644 HD23 ' HB2' ' A' ' 135' ' ' HIS . 4.1 mp -107.91 131.76 54.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.0 mt -98.79 122.51 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 61.1 p -89.01 -178.93 5.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.53 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.04 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.33 -35.43 77.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 108' ' ' VAL . 36.6 mt-10 -63.75 -39.75 95.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.951 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.74 -37.77 82.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -69.61 -31.43 69.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -34.49 77.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 112' ' ' LEU . 21.5 t -82.18 -34.4 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmt -65.24 -35.18 80.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -70.63 -33.43 70.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.85 -39.82 49.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 108' ' ' VAL . 8.8 mp -66.38 -21.09 66.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.44 42.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.5 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -134.13 134.32 42.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.339 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -117.46 114.1 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.598 ' CD1' HG22 ' A' ' 121' ' ' VAL . 0.9 OUTLIER -133.94 147.9 51.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.574 ' O ' HG23 ' A' ' 121' ' ' VAL . 3.0 p -69.07 178.52 2.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -65.4 -47.19 77.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -61.22 -36.53 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -61.86 -35.41 78.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.598 HG22 ' CD1' ' A' ' 116' ' ' LEU . 31.5 t -71.87 -48.34 51.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.86 -34.64 73.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -62.69 -32.98 74.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.1 mtm -73.8 -32.45 63.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.453 HD13 HD11 ' A' ' 136' ' ' ILE . 32.4 mm -71.08 -44.02 75.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -32.84 74.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.74 -32.46 73.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -113.52 30.9 6.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.67 102.94 12.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 29.7 mt -86.34 -52.08 12.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.0 p30 -82.79 -20.15 36.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.37 36.04 69.52 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.52 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -89.69 -20.28 23.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.297 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.48 30.24 5.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.454 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.644 ' HB2' HD23 ' A' ' 99' ' ' LEU . 72.6 m80 -152.0 179.99 7.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.453 HD11 HD13 ' A' ' 125' ' ' ILE . 22.8 mt -135.93 107.26 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -84.29 -176.17 6.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.65 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.4 t80 -60.63 -46.79 88.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -59.84 -42.31 93.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.83 -30.92 70.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -69.99 -32.97 71.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.7 t -69.1 -32.34 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.074 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -82.33 -32.7 29.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.7 ttm -65.1 -45.25 85.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.545 ' HG2' HD21 ' A' ' 85' ' ' LEU . 35.8 tpp -80.09 -45.17 18.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.013 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 146' ' ' VAL . 21.6 t -96.36 39.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.52 103.48 7.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.784 0.326 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -98.64 -58.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 5.0 mttt 60.94 160.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -127.12 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -88.87 -37.66 15.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.69 -50.32 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.3 t -56.25 -29.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.2 m -80.24 -21.76 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -86.11 -38.73 17.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.239 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.87 -38.81 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.477 HG13 ' N ' ' B' 1912 ' ' ILE . 12.1 p -58.55 -43.87 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.252 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.477 ' N ' HG13 ' B' 1911 ' ' VAL . 29.2 mt -60.51 -35.97 66.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.061 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -73.75 -34.56 64.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -69.84 -30.92 68.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -70.47 -41.51 72.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 8.3 t80 -70.86 -31.05 67.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -59.75 -30.62 68.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.987 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 18.8 mtt85 -81.41 -31.54 33.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 28.9 t80 -63.49 -34.55 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 72.1 mt -74.03 -45.76 47.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.1 mttm -78.41 -53.14 7.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -69.31 -34.65 74.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.75 136.0 54.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t 59.31 101.17 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.18 34.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 28.2 mtp . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.25 -66.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 65.54 14.44 9.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.442 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -100.32 -41.3 7.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.88 0.371 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.65 -4.51 46.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.352 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.606 ' HB3' HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -88.83 9.25 25.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.622 0.249 . . . . 0.0 111.338 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -94.87 -39.35 10.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.825 0.345 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -96.53 -21.29 17.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.304 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -86.81 -51.85 5.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.959 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 81' ' ' SER . 37.9 mt -63.34 -41.07 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.015 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 19.6 tt -59.29 -37.87 71.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.26 -43.27 74.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.4 -29.96 61.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.39 -36.62 76.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -70.75 -36.47 73.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.04 -40.7 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -70.61 -44.56 67.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.99 86.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -72.55 -30.95 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.49 -20.23 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.4 76.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.519 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -109.59 -21.93 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.641 0.257 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.03 30.83 7.64 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.424 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.9 mt -145.21 129.9 18.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.7 mt -108.45 120.12 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -93.81 171.57 8.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.556 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -60.36 -30.3 69.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.81 -27.69 33.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.187 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -74.19 -30.56 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.975 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.668 HD23 HG13 ' A' ' 121' ' ' VAL . 7.4 tp -70.51 -55.01 9.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -58.85 -29.77 67.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -39.13 86.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 104' ' ' GLU . 24.5 t -83.04 -32.34 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -42.39 91.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -68.21 -34.78 76.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.73 -21.15 59.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.98 47.31 0.96 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -154.15 115.19 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -92.17 136.18 33.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.29 142.94 35.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.9 m -77.76 166.05 23.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.77 -38.48 78.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -76.41 -31.32 57.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.24 -33.47 74.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.668 HG13 HD23 ' A' ' 105' ' ' LEU . 21.8 t -86.47 -37.86 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.525 ' HA ' HD12 ' A' ' 125' ' ' ILE . 5.3 t70 -60.27 -31.38 70.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.7 -37.46 62.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.501 ' SD ' HD11 ' B' 1912 ' ' ILE . 50.3 mtm -65.74 -35.63 81.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 102' ' ' ALA . 13.7 mt -71.01 -33.66 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -31.46 70.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -77.38 -31.22 54.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.55 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -88.58 -39.99 13.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.96 114.0 9.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.966 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.4 mt -90.04 -37.99 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.101 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -75.86 -20.2 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.63 34.33 72.81 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.564 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p-10 -85.98 -20.35 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.719 0.295 . . . . 0.0 111.171 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.33 28.63 7.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -155.66 139.08 15.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 30.5 mt -83.17 122.72 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -98.08 174.77 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.648 ' O ' HG23 ' A' ' 142' ' ' VAL . 88.6 t80 -63.76 -54.14 39.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.29 -31.16 70.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -36.05 68.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -69.03 -30.61 69.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -64.92 -31.91 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.165 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.23 -45.99 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 2.2 ttp -62.28 -48.98 77.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -62.05 -39.78 93.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.566 ' O ' HG12 ' A' ' 146' ' ' VAL . 14.9 t -98.41 32.21 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.043 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.5 -33.84 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.767 0.318 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 60.02 168.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.3 pttt -111.15 109.68 19.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -139.69 153.05 47.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -92.97 -32.49 14.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.61 -46.84 20.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -58.98 -38.26 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.218 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.6 -31.02 71.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.89 69.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.153 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.33 -30.39 39.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 21.5 t -68.96 -37.42 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.501 HD11 ' SD ' ' A' ' 124' ' ' MET . 28.4 mm -83.49 -31.55 8.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -74.67 -30.82 61.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -79.07 -30.71 44.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.995 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.59 -50.45 73.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 21.0 t80 -70.47 -29.19 65.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -46.68 85.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.981 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.34 -29.68 62.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.999 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 80.7 t80 -59.0 -56.88 16.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.85 -39.49 85.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 2.0 tt -60.38 -49.26 78.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.67 -30.21 62.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -32.95 70.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.6 100.07 6.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 20.3 m -115.43 153.57 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.87 171.37 13.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.5 ttm . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.781 0.324 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.05 -33.3 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 69.08 -66.71 0.24 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -58.12 -35.99 72.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -56.86 -28.1 61.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.617 ' HB3' HG13 ' A' ' 142' ' ' VAL . 3.7 m -83.59 -11.22 57.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -94.56 -23.96 17.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.719 0.295 . . . . 0.0 111.203 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.466 ' C ' HG22 ' A' ' 86' ' ' ILE . 6.7 pt-20 -96.37 -27.66 14.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.319 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -90.18 -55.4 3.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.219 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD12 ' O ' ' A' ' 81' ' ' SER . 38.8 mt -58.45 -30.97 67.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.466 HG22 ' C ' ' A' ' 83' ' ' GLU . 14.7 tt -57.91 -38.87 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.264 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -74.9 -40.17 61.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.516 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.82 -30.77 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 26.2 t80 -64.09 -39.79 94.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -34.12 77.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.5 t -80.36 -33.96 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.083 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 -34.07 73.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -93.0 83.46 4.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -65.48 -26.62 68.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.022 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -69.38 -20.26 63.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.181 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 32.41 80.63 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.485 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.8 p-10 -105.03 -21.96 13.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.727 0.298 . . . . 0.0 111.159 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.66 -26.93 14.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.531 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.45 140.11 39.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.1 mt -116.84 122.9 71.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.4 p -88.81 -179.34 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.86 -35.11 80.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.42 -28.97 56.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -74.04 -33.21 63.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.466 HD12 HD12 ' A' ' 136' ' ' ILE . 0.7 OUTLIER -71.68 -52.45 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 110' ' ' THR . 0.9 OUTLIER -59.72 -30.06 68.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.985 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -36.16 78.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.34 -33.62 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mtt -65.0 -44.84 87.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 106' ' ' ARG . 9.5 t -61.91 -35.04 77.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.73 -38.88 46.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.41 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.06 32.51 2.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HB3' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -125.74 121.83 34.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -96.79 115.2 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 114' ' ' GLU . 5.5 mp -130.66 156.0 45.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.551 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -96.06 168.37 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -58.37 -44.63 88.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.59 -32.49 66.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -52.74 48.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 117' ' ' THR . 22.5 t -63.65 -44.33 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.58 -39.27 73.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.06 -30.1 68.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -77.69 -31.76 52.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.7 ' CD1' HD11 ' A' ' 136' ' ' ILE . 33.9 mm -68.45 -37.4 77.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -65.59 -37.73 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.12 -31.49 71.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.527 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -90.88 -31.02 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.4 102.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.8 mt -86.98 -30.88 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -97.37 -20.23 17.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.74 40.53 45.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.48 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -97.16 -20.43 17.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.735 0.302 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 103.23 28.15 6.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.53 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -147.58 179.71 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.801 0.334 . . . . 0.0 110.952 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.7 HD11 ' CD1' ' A' ' 125' ' ' ILE . 32.8 mt -137.12 118.74 18.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -94.1 177.53 5.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.782 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.0 t80 -61.49 -39.97 92.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.83 -36.18 81.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.34 -31.43 65.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -72.8 -32.12 65.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 138' ' ' TYR . 26.4 t -74.98 -33.2 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -50.32 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.527 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 21.6 ttp -58.65 -39.49 80.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.407 ' HE2' ' HB2' ' A' ' 145' ' ' MET . 35.3 tpp -60.97 -55.38 33.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 142' ' ' VAL . 16.1 m -97.56 39.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.32 43.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.792 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.2 mmtp . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.87 -49.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 6.4 mtpp 60.86 105.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.45 33.33 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . 0.638 ' O ' ' HB2' ' B' 1909 ' ' ALA . 0.0 OUTLIER -79.41 -45.43 19.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -80.86 -31.15 35.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.4 t -64.89 -46.94 90.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.512 ' HA ' HG22 ' B' 1911 ' ' VAL . 17.7 p -87.33 -4.89 59.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.475 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.638 ' HB2' ' O ' ' B' 1905 ' ' GLU . . . -79.88 -27.41 40.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 111.376 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 25.4 mm -87.55 -40.11 13.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.316 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.512 HG22 ' HA ' ' B' 1908 ' ' SER . 23.4 m -56.27 -30.31 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 21.9 mt -78.34 -47.09 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.204 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.94 -33.96 76.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.51 -30.68 71.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.36 79.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.516 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 11.3 t80 -78.07 -28.38 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -45.05 86.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -73.12 -33.54 65.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.535 ' OH ' HG21 ' A' ' 91' ' ' VAL . 77.8 t80 -58.73 -30.0 67.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.04 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' B' 1920 ' ' LEU . 15.9 mt -89.2 -30.64 18.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.52 -39.9 51.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -63.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . 0.549 ' HB3' HG22 ' B' 1925 ' ' VAL . 4.1 mt-30 -60.0 -59.07 6.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.4 tttt 59.71 30.9 20.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.857 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.549 HG22 ' HB3' ' B' 1923 ' ' GLN . 5.5 m -112.54 103.84 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.191 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.37 -42.52 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.4 mtt . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.854 0.359 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 62.97 145.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -170.42 -47.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.765 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -91.44 -31.76 15.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -67.5 -18.49 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.274 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.603 ' HB3' HD11 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -82.18 2.55 31.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.442 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.94 -32.47 13.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.787 0.327 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -96.55 -27.08 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.299 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -85.62 -55.78 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.09 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.603 HD11 ' HB3' ' A' ' 81' ' ' SER . 35.4 mt -57.75 -39.01 76.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.049 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.1 tt -59.62 -40.31 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.411 ' N ' HG23 ' A' ' 86' ' ' ILE . 1.8 tt0 -66.9 -43.02 84.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.94 -32.73 74.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' CE1' ' HA ' ' A' ' 138' ' ' TYR . 1.5 t80 -60.03 -32.41 70.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -34.84 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.72 -34.99 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.43 ' CE2' HG21 ' A' ' 108' ' ' VAL . 5.1 m-85 -69.86 -35.89 75.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.18 92.88 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -71.07 -36.34 72.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -94.2 -20.23 20.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.45 46.85 66.61 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.476 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -93.53 -21.81 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.716 0.293 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -26.49 9.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.549 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.4 mp -125.52 139.79 53.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.46 144.6 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.37 -171.82 1.98 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.56 -32.78 36.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.43 -29.14 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -75.37 -30.34 60.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.97 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.666 HD22 ' CD1' ' A' ' 125' ' ' ILE . 5.6 tp -69.68 -31.51 69.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.996 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.7 ptt85 -83.19 -27.13 30.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.5 -29.7 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 92' ' ' PHE . 17.9 m -87.16 -28.76 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -36.42 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.0 t -66.14 -34.1 77.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -37.45 37.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -21.05 66.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.79 43.61 1.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.528 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.92 150.19 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.789 0.328 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.415 ' C ' HD22 ' A' ' 116' ' ' LEU . 2.9 mmpt? -113.46 116.83 30.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 120' ' ' GLU . 3.5 mm? -126.32 140.03 52.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.818 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.6 m -85.35 168.42 14.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.403 ' H ' HG22 ' A' ' 117' ' ' THR . 5.4 p-10 -62.94 -40.89 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.7 -39.86 61.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.796 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.432 ' HB3' HD12 ' A' ' 116' ' ' LEU . 2.7 mt-10 -59.72 -42.53 93.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 117' ' ' THR . 28.4 t -69.53 -47.79 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -55.98 -31.13 62.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.52 -30.41 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.66 -36.26 57.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.666 ' CD1' HD22 ' A' ' 105' ' ' LEU . 35.5 mm -68.73 -36.38 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.86 -47.21 87.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.003 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.16 -37.01 83.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -78.93 -35.47 43.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.578 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -64.32 102.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' A' ' 140' ' ' GLU . 35.5 mt -88.47 -30.63 5.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -87.39 -20.19 27.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.44 44.55 21.33 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -110.46 -20.41 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.641 0.258 . . . . 0.0 111.112 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.05 -15.34 33.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.795 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -109.81 158.59 17.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.801 0.334 . . . . 0.0 110.944 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 24.3 mt -108.92 139.67 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -109.29 173.22 6.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.522 ' O ' HG23 ' A' ' 142' ' ' VAL . 30.7 t80 -59.89 -40.65 89.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -66.1 -43.29 87.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' HG2' HD12 ' A' ' 130' ' ' ILE . 32.9 mt-10 -67.12 -34.21 77.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.26 -30.56 70.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.4 t -76.02 -31.88 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -71.02 -39.69 72.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.401 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 40.0 ttp -65.54 -56.64 11.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.3 tpp -64.43 -48.82 73.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.561 ' O ' HG12 ' A' ' 146' ' ' VAL . 19.1 t -96.97 38.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.2 p -66.62 -176.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 7.0 tttt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.8 0.333 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -86.61 98.95 11.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -127.1 -48.91 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.22 30.57 2.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.03 -36.73 16.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -82.17 -39.62 22.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.673 ' O ' HG13 ' B' 1911 ' ' VAL . 25.4 t -66.76 -30.36 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 4.4 m -78.89 -23.88 44.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.138 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -85.05 -32.85 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.252 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 27.5 pt -76.98 -38.56 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.384 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' 1907 ' ' VAL . 19.3 m -58.87 -40.79 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.419 HG12 HG23 ' B' 1911 ' ' VAL . 31.6 mm -77.2 -31.71 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -74.08 -48.42 29.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.86 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 3.9 t80 -66.04 -29.61 69.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . 0.613 ' O ' HD12 ' B' 1921 ' ' LEU . 1.0 OUTLIER -58.52 -31.17 67.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 34.6 mtt180 -78.44 -35.48 46.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.72 -32.81 72.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.0 -22.99 21.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.613 HD12 ' O ' ' B' 1917 ' ' ARG . 0.4 OUTLIER -84.23 -40.39 18.14 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -81.66 -70.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.066 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.19 -41.44 83.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.995 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.0 tttp 58.09 178.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 12.0 p -95.17 -31.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -89.17 157.54 18.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.5 mmm . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.769 0.318 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.45 167.82 12.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.963 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -115.65 -39.15 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -91.43 -39.46 11.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.68 -28.74 69.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -12.65 61.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.94 -39.27 26.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.718 0.294 . . . . 0.0 111.342 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -96.49 -22.18 17.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.572 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -85.36 -51.1 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 111.267 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.83 -38.08 82.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.374 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 87' ' ' GLU . 20.1 tt -58.32 -42.83 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.185 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 86' ' ' ILE . 5.5 tt0 -67.55 -45.69 74.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.23 -31.38 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.0 t80 -59.68 -40.32 87.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.97 -41.36 78.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.8 t -71.35 -34.04 52.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.34 -53.79 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -71.48 83.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -62.91 -27.01 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.989 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -69.34 -20.26 63.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.199 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.52 35.14 78.76 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.59 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -106.37 -22.02 12.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.86 -28.26 8.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.8 mp -111.57 129.93 55.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.34 119.78 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.9 p -85.58 -174.62 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' HG11 ' A' ' 121' ' ' VAL . . . -74.3 -38.73 63.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.15 -33.05 74.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.627 ' O ' HG23 ' A' ' 108' ' ' VAL . 55.0 mt-10 -67.95 -36.08 79.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.432 HD23 ' CG ' ' A' ' 109' ' ' MET . 2.4 tt -65.69 -45.78 81.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -62.56 -34.3 76.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -40.47 77.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.73 HG12 HD13 ' A' ' 112' ' ' LEU . 25.7 t -79.48 -31.21 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.432 ' CG ' HD23 ' A' ' 105' ' ' LEU . 2.5 mmt -63.71 -42.54 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 26.9 m -65.06 -42.19 94.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -37.57 80.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.73 HD13 HG12 ' A' ' 108' ' ' VAL . 0.3 OUTLIER -67.55 -21.07 65.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.19 41.23 1.55 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.541 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -144.55 135.26 24.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -114.94 127.47 55.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.656 ' CD1' HG22 ' A' ' 121' ' ' VAL . 1.2 pt? -149.98 142.85 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 121' ' ' VAL . 69.9 p -69.43 174.73 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -60.28 -44.98 94.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.33 -37.7 78.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.16 -36.99 85.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.656 HG22 ' CD1' ' A' ' 116' ' ' LEU . 27.1 t -71.95 -48.49 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.069 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.28 -30.13 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.99 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -70.29 -34.88 73.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.2 mtm -73.54 -42.18 62.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.6 HD13 HD11 ' A' ' 136' ' ' ILE . 40.6 mm -64.08 -42.55 95.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -49.19 78.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.99 -36.26 80.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB2' ' CE ' ' A' ' 144' ' ' MET . . . -77.83 -35.81 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.077 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.79 101.89 3.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.6 mt -87.91 -28.04 5.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -92.26 13.44 19.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.34 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.14 25.24 17.48 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.679 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.73 -20.41 42.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.599 0.237 . . . . 0.0 111.116 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.33 -13.66 64.58 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.801 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -112.31 155.28 24.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.889 0.376 . . . . 0.0 111.017 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.6 HD11 HD13 ' A' ' 125' ' ' ILE . 31.2 mt -96.58 105.05 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -89.96 -177.59 5.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.733 ' O ' HG23 ' A' ' 142' ' ' VAL . 24.5 t80 -64.13 -44.62 91.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.54 -38.6 84.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -69.54 -30.72 68.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -71.99 -30.6 65.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 138' ' ' TYR . 25.7 t -69.45 -37.08 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.143 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -77.73 -34.92 52.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.561 ' CE ' ' HB2' ' A' ' 128' ' ' ALA . 1.2 ttm -64.4 -61.66 2.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 11.9 tpp -63.61 -46.5 85.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.075 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' ' 146' ' ' VAL . 4.8 t -96.04 39.91 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.963 0.411 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 p -70.66 112.57 7.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.933 0.397 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -110.13 -48.89 3.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 16.9 mttt 60.75 163.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -130.42 84.4 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.49 -48.06 8.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.09 -53.68 52.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -54.94 -28.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.271 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -73.16 -24.85 60.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.514 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -85.89 -34.03 21.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.803 0.335 . . . . 0.0 111.251 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 38.4 mm -66.46 -44.64 90.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.113 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.47 HG13 ' N ' ' B' 1912 ' ' ILE . 12.2 p -58.69 -43.08 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.514 HD12 ' HA ' ' B' 1909 ' ' ALA . 27.6 mt -60.1 -46.74 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.077 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -66.55 -44.62 81.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.93 -31.12 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -66.9 -42.63 85.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 12.6 t80 -74.03 -29.12 61.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.974 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -58.32 -30.27 66.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -32.63 26.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 52.1 t80 -62.25 -31.23 71.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 56.0 mt -80.6 -30.04 36.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -29.65 27.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.71 -37.16 23.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.026 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.87 -36.55 21.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.973 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 6.2 mttp -116.56 140.75 49.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t 63.61 115.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.077 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -42.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.043 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -109.72 -30.57 7.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 68.08 -69.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -57.06 -44.39 82.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.998 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -17.0 63.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.63 ' HB3' HD11 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -87.79 8.66 24.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.413 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.01 -38.29 10.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.766 0.317 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -96.39 -22.8 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.422 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -85.6 -56.04 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 111.059 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 81' ' ' SER . 29.6 mt -58.55 -40.21 82.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.8 tt -59.94 -34.99 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -76.73 -46.62 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.513 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -59.22 -30.46 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -45.1 96.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -62.67 -34.45 77.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.62 -36.79 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -75.8 -48.41 21.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -65.69 86.86 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -70.23 -31.61 69.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.989 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -75.15 -20.2 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.43 95.44 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 30.0 p30 -109.55 -21.88 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.732 0.301 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 -10.89 31.13 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.428 ' HB3' ' CD2' ' A' ' 135' ' ' HIS . 11.1 mt -114.22 134.05 55.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.799 0.333 . . . . 0.0 110.963 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mt -107.75 117.64 53.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 168.08 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.64 89.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.083 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 106' ' ' ARG . . . -63.55 -23.97 67.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 33.2 mt-10 -85.75 -22.5 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.314 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 tp -88.23 -11.52 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.664 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 103' ' ' ALA . 1.8 ppt_? -89.84 -32.99 16.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.248 . . . . 0.0 111.353 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.621 ' CD2' HG13 ' A' ' 108' ' ' VAL . 2.9 p-80 -75.53 -30.67 59.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.816 0.341 . . . . 0.0 111.062 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.621 HG13 ' CD2' ' A' ' 107' ' ' HIS . 19.5 m -75.0 -34.42 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.488 ' CE ' HG12 ' B' 1911 ' ' VAL . 0.0 OUTLIER -72.6 -30.98 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.931 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.7 m -68.71 -36.81 78.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -76.5 -39.38 53.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.771 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 108' ' ' VAL . 5.0 mp -64.77 -21.15 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.05 50.02 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.93 162.92 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.62 121.45 16.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.759 HD12 HG22 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -150.0 146.05 26.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -82.03 172.92 12.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.463 ' H ' HG22 ' A' ' 117' ' ' THR . 0.5 OUTLIER -59.07 -43.97 91.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.925 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.1 -40.79 95.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.816 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -34.44 76.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG22 HD12 ' A' ' 116' ' ' LEU . 21.4 t -73.08 -46.39 51.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -29.99 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.044 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -73.77 -29.92 62.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.415 ' CE ' HD13 ' A' ' 116' ' ' LEU . 23.3 mtm -79.34 -39.34 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.438 HD13 HD11 ' A' ' 136' ' ' ILE . 35.6 mm -68.26 -39.84 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -64.59 -33.29 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -76.03 -30.83 58.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.95 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -86.19 -39.18 16.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -70.1 108.8 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.98 -32.03 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -73.47 -20.2 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 43.82 63.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -109.0 -20.27 13.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.683 0.278 . . . . 0.0 111.194 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.48 -25.07 14.15 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.428 ' CD2' ' HB3' ' A' ' 99' ' ' LEU . 38.4 m80 -109.86 137.02 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.438 HD11 HD13 ' A' ' 125' ' ' ILE . 29.6 mt -88.35 125.04 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.42 -170.66 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 142' ' ' VAL . 84.1 t80 -76.09 -40.48 52.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -68.39 -31.35 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -81.25 -31.92 33.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -65.16 -31.08 72.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.7 t -67.9 -51.93 44.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.42 -30.74 68.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.636 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 3.3 tmm? -75.38 -41.78 55.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.0 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.538 ' HG3' HD22 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -67.04 -51.5 53.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 142' ' ' VAL . 21.1 m -98.42 33.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p -65.85 147.1 53.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.756 0.313 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.62 93.74 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 8.2 tttt -150.45 116.21 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 60.25 87.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.4 -32.93 15.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.6 -41.52 31.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.538 ' O ' HG23 ' B' 1911 ' ' VAL . 21.5 t -58.23 -40.98 79.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -60.35 -34.87 74.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -68.42 -36.13 78.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.45 -37.84 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.538 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -56.6 -29.66 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.285 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.8 mm -88.7 -29.3 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -81.23 -32.91 33.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.971 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -41.67 51.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -61.38 -49.55 76.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.182 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.513 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 16.2 t80 -61.07 -30.32 70.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -37.76 77.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -69.9 -31.02 68.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 38.5 t80 -60.77 -35.56 76.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.66 -31.96 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.1 -33.19 50.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -73.81 -36.76 65.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.2 -46.88 39.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 8.8 mmtt 60.19 110.53 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.4 t -118.68 -53.25 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.123 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.88 118.58 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 3.3 mptt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.8 0.333 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.7 154.26 48.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -166.52 -48.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.009 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.08 -33.13 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.005 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -63.76 -24.43 67.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.055 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.72 10.23 35.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.274 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -95.04 -51.88 4.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.807 0.337 . . . . 0.0 111.144 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -85.68 -20.13 29.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.505 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -86.2 -48.01 8.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.184 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 145' ' ' MET . 37.8 mt -70.0 -39.28 75.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.219 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 12.1 tt -56.89 -35.45 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.25 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -74.14 -30.87 62.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -76.13 -30.31 58.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.41 ' CD1' HD11 ' A' ' 100' ' ' ILE . 11.9 t80 -59.95 -39.72 86.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -63.24 -43.63 97.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.41 -46.82 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.23 -42.37 93.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.95 92.92 0.74 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -69.14 -42.34 76.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -84.65 -20.17 31.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.165 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 66.22 33.2 84.46 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.563 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 45.8 p-10 -79.7 -21.94 44.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.723 0.297 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.574 ' C ' HD12 ' A' ' 99' ' ' LEU . . . 108.14 24.91 6.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 98' ' ' GLY . 3.3 mp -161.15 162.47 31.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.828 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.41 HD11 ' CD1' ' A' ' 89' ' ' PHE . 31.7 mt -126.47 107.47 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.7 p -85.14 175.11 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.466 ' HB2' HG13 ' A' ' 125' ' ' ILE . . . -64.96 -42.52 94.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.22 70.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 108' ' ' VAL . 43.2 mt-10 -79.13 -34.11 43.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.43 -48.04 52.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -61.88 -32.95 73.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.26 -39.03 92.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 104' ' ' GLU . 27.6 t -79.26 -33.65 15.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.8 mtp -66.38 -36.67 83.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.7 m -64.01 -41.7 97.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.3 -31.96 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.479 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.6 OUTLIER -67.79 -21.04 65.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.056 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.42 37.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 118.72 10.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.93 122.11 27.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.44 ' CD2' ' HE2' ' A' ' 124' ' ' MET . 2.9 mp -141.26 121.42 13.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.55 179.99 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.4 -21.91 57.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.31 -42.71 13.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -70.16 -32.89 71.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.7 p -70.01 -37.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.35 -35.15 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -66.34 -30.83 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.44 ' HE2' ' CD2' ' A' ' 116' ' ' LEU . 1.8 mtm -77.49 -42.93 33.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.474 HD13 HD11 ' A' ' 136' ' ' ILE . 43.3 mm -61.96 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.103 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -61.47 -36.75 81.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.26 -30.62 71.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.055 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.63 -28.51 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.422 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -69.59 91.5 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.941 -179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.4 mt -78.04 -30.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -84.18 -20.28 32.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 72.57 45.92 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.384 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -110.18 -20.37 12.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 97.58 28.56 8.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -149.77 140.39 22.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.775 0.322 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.474 HD11 HD13 ' A' ' 125' ' ' ILE . 25.6 mt -94.87 126.92 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -103.63 169.23 8.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.838 ' O ' HG23 ' A' ' 142' ' ' VAL . 25.0 t80 -59.28 -33.54 71.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -72.54 -31.5 65.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.56 -38.13 34.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -60.96 -31.46 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -66.51 -51.36 58.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.112 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -60.16 -34.42 73.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -49.96 75.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.414 ' HG2' HD21 ' A' ' 85' ' ' LEU . 1.4 tpt -62.58 -47.85 82.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 142' ' ' VAL . 30.2 m -98.33 32.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 99.2 p -69.93 -33.55 72.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.5 pttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 2.5 mmtp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -153.04 -175.8 5.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -118.05 85.2 2.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -158.81 167.59 29.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -87.88 -30.92 19.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.451 ' O ' HG23 ' B' 1910 ' ' ILE . 3.6 mt-10 -72.03 -33.79 68.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.697 ' O ' HG23 ' B' 1911 ' ' VAL . 11.2 p -74.55 -29.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 58.8 m -87.04 -28.25 22.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.05 -35.31 61.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.214 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.451 HG23 ' O ' ' B' 1906 ' ' GLU . 1.4 pp -69.23 -32.91 55.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.257 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' 1907 ' ' VAL . 37.4 t -67.46 -44.87 86.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.056 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 27.1 mm -72.6 -35.59 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.2 -33.37 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -69.45 -43.31 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.479 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -63.05 -45.49 92.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 10.1 t80 -66.76 -29.49 69.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -58.13 -34.97 70.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -32.14 53.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.24 -39.01 85.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.45 -35.34 35.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -32.07 69.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -64.77 -37.22 86.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . 0.63 ' O ' HG13 ' B' 1925 ' ' VAL . 9.7 mt-30 -91.75 -33.3 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 41.82 32.43 0.27 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.607 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.63 HG13 ' O ' ' B' 1923 ' ' GLN . 26.9 m -98.15 111.33 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.8 -46.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.766 0.317 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -107.97 173.83 6.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.589 ' O ' HD11 ' A' ' 85' ' ' LEU . 4.6 mt-10 -110.72 -44.77 3.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -78.43 -31.82 48.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 -0.96 56.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.45 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 84' ' ' GLU . 39.4 t -87.24 10.92 15.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.471 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -43.98 -30.37 0.71 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.789 0.328 . . . . 0.0 111.514 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.539 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mm-40 -74.79 -34.39 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.792 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.2 mt-10 -90.07 -50.46 5.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.863 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD11 ' O ' ' A' ' 78' ' ' GLU . 11.5 mt -53.05 -33.92 54.12 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.064 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.539 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -59.55 -31.74 47.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.181 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 91' ' ' VAL . 13.4 tt0 -68.57 -35.85 77.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -63.77 -35.77 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -63.24 -40.27 96.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -67.48 -35.94 80.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 87' ' ' GLU . 27.3 t -69.18 -32.6 54.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.649 ' HA ' HG21 ' A' ' 108' ' ' VAL . 15.6 m-85 -79.84 -31.04 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.36 92.95 8.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -74.78 -37.11 62.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -69.48 -20.22 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.48 33.76 82.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.427 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -100.78 -21.91 15.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.759 0.314 . . . . 0.0 111.101 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.5 26.63 5.3 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.573 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' A' ' 135' ' ' HIS . 6.6 mt -161.28 130.35 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.825 0.345 . . . . 0.0 110.842 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mt -99.14 131.79 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -170.14 1.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -73.0 -38.34 66.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.73 -35.26 72.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.638 ' O ' HG23 ' A' ' 108' ' ' VAL . 45.6 mt-10 -65.85 -52.23 52.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.4 -44.04 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -36.71 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.78 -44.79 69.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.649 HG21 ' HA ' ' A' ' 92' ' ' PHE . 31.4 t -67.78 -36.56 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.7 mmt -62.77 -34.21 76.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 m -71.57 -40.0 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -71.8 -43.12 66.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.462 HD13 HG12 ' A' ' 108' ' ' VAL . 6.3 mp -60.69 -21.03 62.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.58 34.36 2.88 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.52 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.71 152.74 49.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 141.41 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 mp -144.89 149.98 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.1 p -78.4 168.83 19.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.78 -37.68 79.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.73 -31.25 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -37.34 85.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 117' ' ' THR . 34.9 t -70.84 -41.83 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.69 -30.28 70.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.17 -40.0 28.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.928 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 3.9 ttm -61.62 -44.46 96.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 102' ' ' ALA . 24.8 mt -69.71 -39.17 77.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.047 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -58.64 -27.88 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.63 -29.92 33.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.01 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -89.39 -30.74 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.294 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.43 103.65 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.86 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.503 HD12 ' CG ' ' A' ' 140' ' ' GLU . 4.9 mt -88.09 -29.76 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -83.31 -20.27 34.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 74.73 33.74 54.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.5 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -92.01 -20.38 21.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.657 0.265 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.36 -24.48 25.95 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.538 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.514 ' CB ' HD22 ' A' ' 99' ' ' LEU . 8.9 m80 -109.83 143.3 39.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.483 ' O ' HD23 ' A' ' 99' ' ' LEU . 14.5 mt -82.8 131.18 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.459 HD22 HD21 ' A' ' 99' ' ' LEU . 1.8 t-20 -101.5 175.7 5.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -59.94 -55.2 37.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.12 -40.21 80.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.074 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.503 ' CG ' HD12 ' A' ' 130' ' ' ILE . 13.8 mt-10 -60.12 -41.71 93.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -60.01 -31.86 70.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.89 -35.46 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.491 ' HG3' HD11 ' A' ' 130' ' ' ILE . 11.4 mmt180 -66.56 -37.02 84.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.652 ' SD ' HD13 ' B' 1912 ' ' ILE . 24.8 ttm -61.45 -49.18 77.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.56 -48.87 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 146' ' ' VAL . 12.6 t -100.57 34.02 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.998 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 83.0 p -60.07 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.44 -48.64 3.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.77 127.27 54.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -161.79 -45.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -63.36 -39.3 94.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -66.65 -45.88 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.422 ' O ' HG13 ' B' 1911 ' ' VAL . 21.5 t -62.73 -30.07 48.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 75.0 m -86.89 -22.7 25.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.01 -28.93 22.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.288 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.53 -30.18 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.347 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.502 HG23 HG13 ' B' 1912 ' ' ILE . 26.6 m -74.98 -29.47 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.652 HD13 ' SD ' ' A' ' 144' ' ' MET . 24.7 mt -85.57 -31.0 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.69 -35.19 60.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -68.08 -31.83 71.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.02 69.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.574 ' CE2' HD11 ' B' 1920 ' ' LEU . 38.1 t80 -80.19 -30.66 38.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -59.6 -33.83 71.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -76.46 -33.13 58.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -69.82 -34.3 73.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.574 HD11 ' CE2' ' B' 1916 ' ' TYR . 30.7 mt -75.96 -40.17 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.04 -42.95 75.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.46 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -33.44 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.4 mttt 60.26 173.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -114.9 -44.31 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.04 -42.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 16.2 mtpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.973 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.5 mpp? . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -109.69 164.6 12.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.538 ' HB3' HG22 ' A' ' 146' ' ' VAL . 1.1 mt-10 -108.58 -36.89 6.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -99.86 -30.52 11.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.93 -2.78 45.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.367 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 84' ' ' GLU . 2.3 p -89.06 10.88 20.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.326 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -44.35 -30.48 0.84 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.739 0.305 . . . . 0.0 111.54 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.515 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.1 pt-20 -74.61 -34.48 62.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.93 0.395 . . . . 0.0 110.83 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.8 OUTLIER -90.27 -50.72 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.873 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 145' ' ' MET . 8.3 mt -53.01 -33.56 52.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.025 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 83' ' ' GLU . 18.8 tt -60.82 -31.67 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -72.4 -31.12 65.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.6 -30.96 63.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -69.52 -31.43 69.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.14 -53.73 13.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.12 -25.68 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' HG11 ' A' ' 108' ' ' VAL . 1.4 m-85 -75.65 -36.22 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.04 89.45 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -72.02 -36.82 69.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.804 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -69.52 -20.17 63.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.59 36.26 91.1 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -107.7 -21.97 12.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.701 0.286 . . . . 0.0 111.185 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.56 -22.02 13.73 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.611 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.0 mt -106.37 147.2 29.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.3 mt -122.48 109.71 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.76 176.86 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.26 72.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.37 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 108' ' ' VAL . 47.9 mt-10 -80.41 -45.44 17.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.977 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD22 HD11 ' A' ' 125' ' ' ILE . 5.6 tp -58.41 -47.39 84.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -29.69 67.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -76.64 -33.12 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.681 HG12 HD13 ' A' ' 112' ' ' LEU . 21.4 t -76.84 -47.01 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.1 -29.27 65.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 m -62.99 -65.12 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -60.23 -30.19 69.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.959 HD23 ' HB1' ' B' 1915 ' ' ALA . 1.0 OUTLIER -64.7 -21.06 66.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.117 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.83 31.52 4.45 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.469 ' OE2' HG13 ' B' 1911 ' ' VAL . 0.9 OUTLIER -140.5 114.48 9.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' C ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -85.73 118.76 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.784 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.513 HD12 ' C ' ' A' ' 115' ' ' LYS . 9.5 mp -126.93 137.61 53.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.484 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -77.87 167.92 20.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' H ' HG22 ' A' ' 117' ' ' THR . 1.6 m-20 -60.32 -40.07 89.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.03 -34.77 57.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.2 74.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 117' ' ' THR . 22.0 t -85.33 -43.28 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.1 -29.14 28.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.25 -30.01 30.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.944 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.711 ' HE2' HD11 ' B' 1912 ' ' ILE . 1.5 mtp -72.07 -40.62 68.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 136' ' ' ILE . 41.0 mm -64.12 -42.46 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.05 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -38.02 79.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.957 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.58 -30.38 65.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.426 ' HB3' HD12 ' A' ' 136' ' ' ILE . . . -87.86 -27.95 21.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.265 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.64 105.79 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 25.3 mt -87.87 -30.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -88.79 -20.33 24.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.162 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.9 45.33 58.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -110.28 -20.38 12.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.658 0.266 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.85 32.92 4.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -156.83 145.38 19.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.647 HD11 HG23 ' A' ' 125' ' ' ILE . 31.8 mm -95.85 115.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -96.94 172.07 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -59.52 -32.02 69.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -25.25 56.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.075 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -89.46 -28.41 19.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.02 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -71.67 -30.77 66.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.07 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 143' ' ' ARG . 10.8 p -73.17 -41.77 58.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 142' ' ' VAL . 16.2 mmm180 -65.96 -33.09 75.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -68.64 -32.08 71.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.44 ' HG2' HD13 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -67.6 -43.08 81.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' A' ' 78' ' ' GLU . 21.5 t -83.39 -31.58 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.7 m -62.08 150.56 37.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 2.4 tttt . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.847 0.356 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -152.74 151.34 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -157.68 152.79 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -98.44 33.56 2.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -38.72 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.36 -40.65 16.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.697 ' HA ' HD12 ' B' 1910 ' ' ILE . 21.5 t -62.13 -32.5 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 45.2 p -73.27 -30.87 63.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -71.07 -31.19 67.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.055 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.697 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.3 mt -70.17 -30.75 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.469 HG13 ' OE2' ' A' ' 114' ' ' GLU . 21.4 t -65.33 -42.43 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.711 HD11 ' HE2' ' A' ' 124' ' ' MET . 24.9 mm -78.33 -31.01 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -75.31 -35.82 61.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . 0.412 ' HG3' HG22 ' B' 1910 ' ' ILE . 3.2 mtp180 -71.8 -39.25 70.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.959 ' HB1' HD23 ' A' ' 112' ' ' LEU . . . -63.34 -45.63 90.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 28.3 t80 -64.13 -29.95 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -41.82 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.44 -28.22 59.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 39.8 t80 -57.65 -43.02 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 7.8 mp -73.26 -49.09 29.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.43 ' O ' HD23 ' B' 1921 ' ' LEU . 1.2 tt -62.96 -31.43 72.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -74.3 -38.21 63.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -75.77 -36.15 59.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 2.6 mtpt 64.95 -76.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.2 t 67.53 110.71 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 18.1 pttt -148.94 -46.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.2 mtp . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.92 120.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -152.58 -51.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.03 -25.59 64.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.94 -2.47 40.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.505 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 84' ' ' GLU . 23.8 m -86.64 10.87 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.357 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -44.42 -30.15 0.81 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.697 0.284 . . . . 0.0 111.421 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 86' ' ' ILE . 49.7 mt-10 -74.76 -34.66 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.779 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' SER . 3.0 mt-10 -90.11 -50.37 6.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 10.0 mt -53.26 -33.32 52.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.6 tt -60.63 -31.58 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.18 -31.55 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.87 68.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.12 -36.71 85.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -52.53 59.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 13.3 m -64.85 -34.68 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -67.93 -37.28 81.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.2 92.9 5.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.27 -54.16 13.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -74.05 -20.23 60.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.84 60.67 7.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.654 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -107.87 6.64 27.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 111.149 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.78 -24.55 27.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.272 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.15 155.76 41.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.746 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.3 mt -96.31 93.8 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.85 176.41 2.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.73 -41.73 87.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.051 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.72 -30.13 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.948 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 109' ' ' MET . 3.1 tt -74.97 -50.7 15.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.951 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -31.36 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -46.26 66.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.4 p -75.69 -34.18 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.468 ' CG ' HD23 ' A' ' 105' ' ' LEU . 5.0 mmt -60.73 -47.62 85.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.4 m -64.83 -36.04 83.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -32.17 70.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -77.27 -21.01 54.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.33 46.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -147.81 123.95 10.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -82.92 122.89 28.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.437 HD21 ' SD ' ' A' ' 124' ' ' MET . 2.7 mp -139.4 133.89 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.1 p -92.18 172.81 8.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.44 ' HA ' HG12 ' A' ' 121' ' ' VAL . 8.1 t70 -71.08 -26.12 62.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.91 -36.21 21.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.894 0.378 . . . . 0.0 110.555 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.97 -31.48 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.627 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 118' ' ' ASP . 11.0 p -73.73 -31.24 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.035 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -36.74 84.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.7 -38.2 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.437 ' SD ' HD21 ' A' ' 116' ' ' LEU . 3.1 mtp -64.57 -30.81 71.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.473 HG22 ' OD1' ' A' ' 129' ' ' ASP . 23.0 mt -81.01 -36.68 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.27 -49.9 75.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.18 29.05 5.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.473 ' OD1' HG22 ' A' ' 125' ' ' ILE . 1.1 m-20 -115.77 101.44 8.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.519 HD12 ' HG3' ' A' ' 140' ' ' GLU . 8.2 mt -73.85 -37.5 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.9 p30 -96.15 -20.22 18.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.194 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.52 81.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p30 -82.48 -20.44 36.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.649 0.261 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.44 28.98 4.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -156.27 173.13 17.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 23.0 mt -123.03 130.3 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.12 177.69 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 53.8 t80 -60.27 -39.68 87.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -64.38 -40.82 96.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.519 ' HG3' HD12 ' A' ' 130' ' ' ILE . 30.8 mt-10 -65.45 -36.19 83.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -38.6 91.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 24.3 t -70.38 -47.75 64.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -60.43 -40.47 91.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.505 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.7 ttm -62.2 -43.27 99.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.2 mmt -60.33 -36.85 78.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.0 m -104.59 31.0 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 96.3 p -81.03 160.67 24.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 1.1 mmtm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.808 0.337 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -31.31 17.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.26 133.7 44.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -117.87 79.43 1.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.971 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -93.1 -31.11 14.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -71.55 -60.84 2.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.737 ' HA ' HD12 ' B' 1910 ' ' ILE . 11.3 p -59.23 -32.28 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 -33.4 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.44 58.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.737 HD12 ' HA ' ' B' 1907 ' ' VAL . 30.7 mt -71.39 -30.51 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.21 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.515 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -69.14 -31.53 50.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.182 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 24.9 mm -79.72 -31.17 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -30.88 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -79.4 -36.97 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.49 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 26.4 t80 -68.49 -27.81 66.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.049 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -57.41 -47.31 82.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.031 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 17.8 ttm180 -64.83 -31.92 73.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 32.1 t80 -63.02 -35.23 79.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.993 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 4.2 mp -74.56 -47.62 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.88 -35.97 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -58.34 8.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.66 -31.07 71.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -59.89 175.01 0.42 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t 64.05 138.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.06 121.04 26.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.1 mtt . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.863 0.363 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 134.54 55.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -104.17 -49.88 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.653 ' HG3' HG11 ' A' ' 146' ' ' VAL . 32.2 mt-30 -58.84 -29.76 67.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.08 -4.2 46.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.405 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 84' ' ' GLU . 69.6 m -86.1 10.84 13.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.408 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 86' ' ' ILE . 17.5 tt0 -43.46 -36.82 2.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.721 0.296 . . . . 0.0 111.511 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -67.54 -33.76 75.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' SER . 2.4 mt-10 -90.42 -52.37 4.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.842 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 mt -53.74 -37.94 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 82' ' ' GLU . 7.0 tt -57.26 -40.48 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.199 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' HG23 ' A' ' 91' ' ' VAL . 7.0 mt-10 -61.95 -37.65 85.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.49 -30.99 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -51.98 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.7 t -59.39 -36.8 66.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -66.4 -45.09 81.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -79.56 84.93 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -64.5 -27.45 68.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.48 -20.13 63.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.63 35.21 90.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.602 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -109.24 -21.93 12.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.696 0.284 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.2 -27.47 10.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.453 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.4 129.9 54.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.804 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.13 138.07 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.03 177.34 4.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.34 97.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.14 -27.13 65.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -77.43 -30.75 53.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.993 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' O ' HG12 ' A' ' 108' ' ' VAL . 1.2 tp -73.68 -48.0 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.408 ' O ' HG22 ' A' ' 110' ' ' THR . 0.5 OUTLIER -63.56 -30.4 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.998 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -69.04 -35.26 76.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.431 HG12 ' O ' ' A' ' 105' ' ' LEU . 11.2 p -87.69 -31.37 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -43.27 93.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.408 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.3 t -62.72 -41.25 99.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.82 -41.82 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.1 -21.04 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.0 49.99 0.7 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -153.05 121.59 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.713 ' C ' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -98.96 117.6 33.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.863 179.882 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.713 HD22 ' C ' ' A' ' 115' ' ' LYS . 4.1 mm? -125.85 150.85 47.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 121' ' ' VAL . 7.2 p -84.28 166.4 17.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -42.44 85.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.52 -36.57 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.6 -46.87 88.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 117' ' ' THR . 22.9 t -69.07 -47.54 74.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.244 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.69 -36.73 57.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.96 -29.09 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 31.3 ttm -78.38 -35.79 46.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.941 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.459 ' CD1' HD11 ' A' ' 136' ' ' ILE . 38.5 mm -66.57 -40.72 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.109 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mtm180 -71.2 -36.64 71.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.58 -30.5 65.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.763 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -91.5 -40.03 11.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.187 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -73.11 86.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -69.15 -21.64 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.302 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -20.25 65.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.169 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.76 92.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.529 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -110.81 -19.32 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.65 0.262 . . . . 0.0 111.211 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 111.62 -25.97 12.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -110.0 133.03 53.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.459 HD11 ' CD1' ' A' ' 125' ' ' ILE . 14.6 mt -82.02 137.0 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.126 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -105.75 -171.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -75.44 -33.44 60.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.17 -31.23 49.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.97 -33.8 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.66 -44.44 96.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 146' ' ' VAL . 12.2 m -63.47 -31.0 51.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.65 -31.02 70.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.763 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 33.5 ttp -78.45 -35.7 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.56 75.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.653 HG11 ' HG3' ' A' ' 79' ' ' GLN . 21.9 m -94.64 -25.89 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.258 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m -56.14 -32.02 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.512 ' HB3' ' HB1' ' B' 1909 ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.745 0.307 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? 60.09 31.78 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 15.8 mttp -154.12 79.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.26 -61.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -37.01 81.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.78 -53.53 11.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.587 ' O ' HG23 ' B' 1911 ' ' VAL . 25.3 m -57.07 -42.99 80.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . 0.434 ' N ' HG23 ' B' 1907 ' ' VAL . 1.3 m -63.16 -36.65 84.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . 0.591 ' HA ' HD12 ' B' 1912 ' ' ILE . . . -62.17 -40.66 96.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.249 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 37.4 mm -65.72 -36.74 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' 1907 ' ' VAL . 22.5 t -58.43 -32.68 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.591 HD12 ' HA ' ' B' 1909 ' ' ALA . 4.9 mt -78.81 -37.5 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -75.63 -31.41 59.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -67.99 -42.68 80.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.36 -34.91 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 7.2 t80 -75.93 -30.71 58.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.18 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -32.05 48.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -68.22 -44.98 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.62 -33.87 76.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -39.33 54.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 4.4 tttm -71.78 -37.4 70.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -33.96 76.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.33 126.7 33.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 30.8 m -74.88 151.1 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.29 135.26 54.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.9 mtm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -131.98 31.49 4.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -86.83 -36.66 18.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -61.04 -31.04 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -13.31 62.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.379 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.4 m -85.59 10.95 11.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.458 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -42.55 -43.44 3.74 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.783 0.325 . . . . 0.0 111.599 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.632 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.6 pt-20 -59.69 -32.52 70.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.985 0.422 . . . . 0.0 110.701 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.8 tt0 -90.39 -45.42 9.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.873 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.31 -30.94 63.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.632 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.1 tt -59.14 -32.12 47.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.142 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 91' ' ' VAL . 38.6 mt-10 -68.22 -36.84 80.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.55 -34.46 67.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -65.83 -31.36 72.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -72.13 -38.88 69.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.6 t -67.08 -44.77 87.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.554 ' CD2' HG11 ' A' ' 108' ' ' VAL . 6.4 m-85 -60.2 -32.28 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.97 92.8 6.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -42.01 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -70.56 -20.28 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 62.97 38.6 96.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.565 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -103.97 -21.87 13.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.671 0.272 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.44 -28.72 8.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.4 mp -108.18 132.58 53.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.0 mt -99.72 136.56 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.16 178.67 4.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.592 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -65.37 -40.53 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.92 -30.86 69.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -74.52 -42.54 58.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.7 -33.81 76.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HG3' HG21 ' A' ' 121' ' ' VAL . 1.3 ttm180 -78.63 -30.81 46.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -70.16 -42.07 72.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.554 HG11 ' CD2' ' A' ' 92' ' ' PHE . 11.3 p -76.74 -33.05 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.503 ' SD ' HD13 ' A' ' 116' ' ' LEU . 3.6 mtt -65.25 -46.99 78.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.512 HG23 ' HE2' ' A' ' 115' ' ' LYS . 53.3 m -61.36 -37.02 81.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -72.44 -40.24 67.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.02 -20.99 65.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.03 47.2 0.9 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.435 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -152.0 105.71 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.512 ' HE2' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -80.46 127.07 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.503 HD13 ' SD ' ' A' ' 109' ' ' MET . 4.2 mp -140.75 140.23 34.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 121' ' ' VAL . 38.2 p -78.52 168.13 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -58.78 -45.63 89.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -38.96 93.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -62.02 -44.38 96.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 117' ' ' THR . 20.6 t -66.61 -49.41 75.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.527 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.9 OUTLIER -58.67 -31.22 67.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.01 -31.97 69.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.64 ' HG2' HD11 ' B' 1912 ' ' ILE . 5.6 mtp -76.88 -33.18 57.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 102' ' ' ALA . 19.6 mt -72.24 -47.98 50.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -56.99 -39.24 74.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -65.88 -30.94 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.64 30.82 6.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.462 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -111.05 93.26 4.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.41 HD12 ' HG2' ' A' ' 140' ' ' GLU . 25.6 mt -74.19 -30.96 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.06 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -88.89 -20.24 24.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.03 44.72 90.9 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -110.41 -20.33 12.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 109.11 -5.34 31.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.804 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -109.97 164.73 12.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.758 0.313 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.95 122.84 70.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -97.56 167.32 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 142' ' ' VAL . 76.3 t80 -58.24 -39.41 79.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.952 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -67.38 -33.74 75.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' A' ' 130' ' ' ILE . 46.2 mt-10 -75.01 -32.45 61.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.71 -40.37 95.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.5 t -60.48 -46.08 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.8 -32.89 74.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.767 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.631 ' SD ' HD13 ' B' 1912 ' ' ILE . 8.0 ttm -65.91 -31.95 73.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -43.36 58.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 142' ' ' VAL . 15.7 m -99.69 30.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.37 -31.63 29.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.823 0.344 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -129.84 114.06 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 2.5 mmtp -135.12 -178.47 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -169.68 -43.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.39 -37.71 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.88 -48.04 70.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.734 ' O ' HG13 ' B' 1911 ' ' VAL . 18.5 m -62.04 -31.0 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.3 m -83.3 -23.42 32.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -87.38 -28.3 22.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.26 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.69 -30.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.348 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.734 HG13 ' O ' ' B' 1907 ' ' VAL . 30.0 m -68.96 -37.07 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.64 HD11 ' HG2' ' A' ' 124' ' ' MET . 42.6 mt -74.28 -42.51 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.085 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.48 -36.49 84.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -64.94 -36.48 84.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.42 94.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.538 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 6.6 t80 -73.86 -30.0 62.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -48.92 78.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -59.48 -33.84 71.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 17.3 t80 -65.36 -55.21 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.521 HD12 ' HD3' ' B' 1924 ' ' LYS . 3.3 mm? -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . 0.536 ' O ' HG22 ' B' 1925 ' ' VAL . 0.3 OUTLIER -64.3 -17.11 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 -23.16 22.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.18 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -51.69 3.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.239 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . 0.521 ' HD3' HD12 ' B' 1920 ' ' LEU . 0.0 OUTLIER -99.79 -33.57 10.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.536 HG22 ' O ' ' B' 1921 ' ' LEU . 21.9 t 69.27 -67.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.164 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.29 -55.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 25.9 mttt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.1 mtt . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.783 0.325 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -172.02 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -141.94 -51.61 0.41 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.465 ' CG ' HG11 ' A' ' 146' ' ' VAL . 31.4 mt-30 -69.13 -30.18 68.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.44 0.09 53.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.453 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 84' ' ' GLU . 71.9 m -85.79 10.95 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.51 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.69 -30.18 0.89 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.701 0.286 . . . . 0.0 111.385 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -74.91 -33.78 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' SER . 2.3 mm-40 -90.51 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.744 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.431 HD23 ' OH ' ' B' 1916 ' ' TYR . 9.1 mt -52.67 -35.4 55.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.3 tt -64.29 -44.22 97.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 86' ' ' ILE . 16.4 tt0 -61.09 -32.14 71.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.38 -30.41 66.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 138' ' ' TYR . 1.9 t80 -65.32 -31.06 72.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.972 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -53.05 16.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 14.7 m -63.96 -31.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.46 ' CD1' HG11 ' A' ' 108' ' ' VAL . 1.1 m-85 -70.06 -46.24 65.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.34 91.88 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.0 mtt-85 -69.94 -33.29 71.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.01 -20.25 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.81 36.99 93.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -109.71 -21.84 12.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.728 0.299 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.53 -19.68 16.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.716 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.4 mt -111.34 139.97 46.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.881 0.372 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.08 129.72 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.1 p -101.33 -177.66 3.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.498 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.02 -52.0 64.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.62 -31.91 69.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 108' ' ' VAL . 32.9 mt-10 -64.98 -55.03 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.42 -35.94 82.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.08 -35.21 79.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -40.3 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.579 HG12 HD13 ' A' ' 112' ' ' LEU . 28.4 t -76.16 -32.05 22.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.9 -40.93 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.63 HG23 ' HE3' ' A' ' 115' ' ' LYS . 58.9 m -64.66 -36.83 85.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -70.81 -39.47 73.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 108' ' ' VAL . 3.6 mp -65.14 -21.01 66.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.583 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.42 ' OE2' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.41 109.94 3.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.37 . . . . 0.0 110.874 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.63 ' HE3' HG23 ' A' ' 110' ' ' THR . 0.0 OUTLIER -82.0 112.68 19.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.45 HD12 ' HB3' ' A' ' 120' ' ' GLU . 4.1 mm? -112.87 149.9 32.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.647 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -89.02 169.71 11.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -63.36 -39.2 93.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -75.36 -34.97 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.45 ' HB3' HD12 ' A' ' 116' ' ' LEU . 1.6 mm-40 -63.36 -51.57 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 117' ' ' THR . 25.3 t -60.09 -46.7 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -59.48 -30.87 68.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -75.51 -36.76 60.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.498 ' SD ' HD11 ' B' 1912 ' ' ILE . 2.9 mtm -67.97 -31.16 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' A' ' 102' ' ' ALA . 20.1 mt -82.72 -37.67 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.75 -33.09 66.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.997 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -78.68 -29.81 45.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -104.3 31.17 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.29 93.17 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.5 mt -77.92 -34.6 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -82.43 -20.25 37.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.96 29.17 74.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -90.48 -20.42 22.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 111.186 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.71 28.35 6.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -156.0 149.14 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.494 ' CG1' HG23 ' A' ' 125' ' ' ILE . 31.3 mt -95.34 124.08 47.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -99.38 174.25 6.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.679 ' O ' HG23 ' A' ' 142' ' ' VAL . 62.1 t80 -60.21 -39.56 87.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -69.62 -35.77 75.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.49 -36.37 57.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -60.15 -32.03 70.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 138' ' ' TYR . 30.8 t -73.53 -32.06 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -73.4 -37.38 65.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.6 ttm -72.2 -38.88 68.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 8.9 mmt -65.44 -31.35 72.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 79' ' ' GLN . 34.7 m -87.44 -34.02 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.263 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.3 m -68.59 108.09 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.339 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.71 31.11 20.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.4 mttt -134.97 -168.66 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -168.08 90.82 0.3 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -91.33 -29.77 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' 1910 ' ' ILE . 0.6 OUTLIER -59.29 -58.19 9.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.448 ' O ' HG22 ' B' 1911 ' ' VAL . 29.7 m -63.73 -28.02 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -81.66 -26.48 34.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -84.97 -33.91 22.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.411 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.457 HD12 ' N ' ' B' 1911 ' ' VAL . 2.5 pp -71.04 -38.89 73.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.395 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.457 ' N ' HD12 ' B' 1910 ' ' ILE . 3.4 m -62.29 -37.8 79.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.498 HD11 ' SD ' ' A' ' 124' ' ' MET . 41.2 mt -77.38 -30.44 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.108 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -34.75 52.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -74.83 -46.79 34.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.68 69.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.151 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.815 ' CZ ' HD11 ' B' 1920 ' ' LEU . 31.3 t80 -80.87 -31.32 35.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -59.99 -35.75 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 44.5 mtt85 -72.66 -38.11 67.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 44.0 t80 -60.51 -30.98 70.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.815 HD11 ' CZ ' ' B' 1916 ' ' TYR . 8.2 mp -83.24 -48.49 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.019 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -29.55 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.68 -35.45 70.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.02 -32.38 16.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.021 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.91 175.17 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 19.5 t 69.18 -67.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 2.0 tttt -169.04 -67.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 21.5 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.811 0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.31 131.31 21.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -86.51 -43.63 12.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -73.37 -38.03 65.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.807 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.09 -5.29 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.414 ' OG ' HD11 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -88.56 10.16 21.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.433 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -94.79 -42.41 8.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.984 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -96.47 -20.33 18.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.346 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -86.58 -36.12 19.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.171 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD11 ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -82.06 -32.62 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.118 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 87' ' ' GLU . 19.9 tt -59.02 -44.83 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.202 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' N ' HG23 ' A' ' 86' ' ' ILE . 17.0 mt-10 -69.78 -34.0 73.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.803 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.529 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -78.74 -27.05 44.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -74.68 -30.18 61.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -80.59 -39.12 28.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.025 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -69.85 -30.47 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.635 ' HA ' HG11 ' A' ' 108' ' ' VAL . 1.8 m-85 -60.07 -65.18 0.72 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -64.88 93.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.87 -42.13 88.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.996 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.1 p30 -69.4 -20.24 63.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.212 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 61.27 47.19 92.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -86.32 -11.37 52.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.574 0.226 . . . . 0.0 111.304 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -27.01 9.06 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.59 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mp -126.1 179.94 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -127.75 98.36 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.5 p -78.23 -168.24 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 -37.75 68.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.08 -40.79 82.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -65.19 -40.48 94.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.59 -31.06 70.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.36 -30.58 48.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.511 ' O ' HG22 ' A' ' 110' ' ' THR . 0.1 OUTLIER -65.07 -40.89 95.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.673 ' O ' HD23 ' A' ' 112' ' ' LEU . 15.6 m -78.63 -29.72 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.635 ' HE3' HG12 ' B' 1911 ' ' VAL . 4.4 mmt -69.0 -33.5 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 107' ' ' HIS . 7.9 t -75.14 -31.0 60.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.6 -35.17 30.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 108' ' ' VAL . 3.6 mm? -66.62 -21.06 66.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 47.93 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -152.75 119.67 5.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.29 143.41 28.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.88 HD21 HG11 ' B' 1911 ' ' VAL . 19.8 mt -148.85 133.56 17.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.713 ' O ' HG23 ' A' ' 121' ' ' VAL . 65.6 p -69.85 179.51 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -75.01 -31.12 61.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.49 -40.25 23.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.73 -39.76 85.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 117' ' ' THR . 29.1 t -74.98 -49.12 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -54.13 -32.26 54.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.06 -29.93 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.945 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.478 ' HG2' HD11 ' B' 1912 ' ' ILE . 2.9 mtp -75.86 -34.69 60.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.8 mm -68.64 -46.07 80.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.127 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -44.37 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.198 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.98 -28.47 65.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.074 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.474 ' HB2' ' HE2' ' A' ' 144' ' ' MET . . . -86.58 -27.03 24.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.381 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 72.55 10.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.899 0.38 . . . . 0.0 111.039 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 mp -60.35 -27.0 38.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.717 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.962 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.46 29.67 71.52 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.236 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -106.71 -20.49 13.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.597 0.237 . . . . 0.0 110.98 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.31 -21.52 35.07 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.865 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -109.73 129.82 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 144' ' ' MET . 33.9 mt -76.23 103.61 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.84 -177.46 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.668 ' O ' HG23 ' A' ' 142' ' ' VAL . 49.3 t80 -62.31 -42.31 99.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.81 -43.89 64.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -64.08 -36.19 83.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -63.77 -30.4 71.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.1 t -65.35 -51.08 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -30.76 69.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.483 ' HE3' HD13 ' A' ' 136' ' ' ILE . 0.4 OUTLIER -73.84 -49.46 25.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.9 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.4 mmt -59.96 -58.3 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 142' ' ' VAL . 5.3 m -97.1 37.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 18.2 p -61.76 -33.21 73.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 1.3 mttm . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.832 0.348 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -79.51 108.73 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.75 156.64 40.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.59 31.0 3.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -69.06 -31.08 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.48 -31.49 29.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 21.5 t -76.96 -31.01 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -74.76 -30.03 61.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.95 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -66.46 -30.45 70.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 30.6 mm -69.94 -42.47 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.88 HG11 HD21 ' A' ' 116' ' ' LEU . 21.5 t -59.57 -32.73 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.478 HD11 ' HG2' ' A' ' 124' ' ' MET . 13.5 mt -80.15 -36.28 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.056 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -31.5 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.043 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -50.58 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -59.43 -32.44 70.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 9.0 t80 -84.06 -28.41 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.046 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -58.4 -38.83 78.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -77.7 -32.82 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 19.1 t80 -60.7 -56.12 25.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.5 tp -60.87 -41.93 96.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 4.7 tp -60.07 -44.18 94.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.939 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -34.3 77.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.18 -30.32 43.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -59.6 170.58 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 29.5 t -89.16 137.59 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.058 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 5.8 tttt -166.96 133.82 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 18.8 pttt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.766 0.317 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -102.09 -39.02 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 71.18 -61.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.477 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.81 -37.97 9.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.497 -179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.04 -27.05 68.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.424 ' HB3' HG13 ' A' ' 142' ' ' VAL . 0.5 OUTLIER -93.89 10.2 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.162 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -95.23 -54.99 3.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.774 0.321 . . . . 0.0 111.19 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.24 -23.13 43.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.594 -179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.65 -56.94 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.811 0.339 . . . . 0.0 111.158 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.566 HD12 HG22 ' A' ' 142' ' ' VAL . 36.6 mt -57.77 -39.71 78.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.247 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 87' ' ' GLU . 18.6 tt -57.01 -42.77 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.222 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' ILE . 3.5 tt0 -66.34 -36.43 82.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.71 -31.33 52.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -60.32 -44.08 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -59.42 -45.0 92.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' OH ' ' B' 1919 ' ' TYR . 21.4 t -72.14 -29.74 33.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.175 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.01 -50.97 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.03 76.26 7.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -28.53 66.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -69.21 -19.9 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.407 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.19 38.14 22.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.83 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -94.19 -22.33 18.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.735 0.303 . . . . 0.0 111.158 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.94 -30.24 8.28 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.416 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.623 HD13 ' HB3' ' A' ' 135' ' ' HIS . 0.3 OUTLIER -134.06 130.98 38.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 110.575 179.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 104' ' ' GLU . 2.9 mp -79.67 119.43 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.239 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.64 -164.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.73 -26.17 57.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.25 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -88.96 -28.75 20.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.317 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HB3' HG23 ' A' ' 100' ' ' ILE . 26.4 mt-10 -75.84 -41.34 52.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 ' CD1' ' A' ' 136' ' ' ILE . 1.3 tt -58.61 -52.35 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -29.69 67.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -66.64 -41.55 88.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.944 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 22.8 t -74.47 -31.23 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.9 mmm -69.38 -39.7 77.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.1 m -69.71 -37.65 76.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -41.79 92.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.76 -21.07 63.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.93 44.3 1.04 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.18 108.56 4.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.7 142.03 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 mp -148.31 124.98 11.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.791 ' O ' HG23 ' A' ' 121' ' ' VAL . 58.7 p -61.82 174.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.04 -32.32 70.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.94 -43.38 45.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.11 -46.02 91.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 117' ' ' THR . 28.5 t -64.67 -50.08 77.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.05 -36.73 63.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.32 -29.09 70.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 6.9 mtp -81.96 -34.53 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.738 HG22 ' OD2' ' A' ' 129' ' ' ASP . 38.8 mm -64.91 -41.45 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.102 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmm180 -65.91 -42.68 89.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.5 -31.22 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.475 ' HB2' ' SD ' ' A' ' 144' ' ' MET . . . -89.19 -31.55 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.17 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.738 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.7 OUTLIER -64.63 103.0 0.62 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.406 HD12 ' HG2' ' A' ' 140' ' ' GLU . 33.5 mt -88.05 -30.81 5.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -86.14 -20.16 29.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.49 40.78 26.8 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -110.12 -20.37 12.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.706 0.288 . . . . 0.0 111.173 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.68 32.26 6.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.623 ' HB3' HD13 ' A' ' 99' ' ' LEU . 46.1 m80 -148.36 145.56 28.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.634 HD11 ' CD1' ' A' ' 125' ' ' ILE . 4.5 mt -106.24 121.27 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.17 -175.51 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.641 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.1 t80 -65.76 -38.43 89.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.943 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.79 -39.3 87.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.406 ' HG2' HD12 ' A' ' 130' ' ' ILE . 25.5 mt-10 -75.49 -31.48 60.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 146' ' ' VAL . 27.9 t -76.09 -37.63 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -49.0 73.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' A' ' 128' ' ' ALA . 47.4 ttp -66.24 -34.87 78.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.0 mmt -61.5 -51.92 66.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 142' ' ' VAL . 29.2 m -98.08 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -83.71 160.96 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.807 0.337 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -68.51 131.84 45.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 8.2 mttt -82.52 167.32 18.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -81.34 -28.16 34.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.25 -37.95 73.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.97 -46.76 64.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . . . . . . . . . 25.4 t -62.13 -31.23 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.4 m -62.94 -27.65 69.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -83.43 -26.93 29.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.212 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 29.6 mm -72.69 -45.98 55.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.311 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . . . . . . . . . 23.4 m -57.84 -36.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.347 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 29.9 mt -68.91 -50.85 50.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -64.99 -42.28 94.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -62.47 -31.09 71.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.48 81.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.55 -29.44 67.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -45.24 90.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -74.55 -30.29 61.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . 0.418 ' OH ' HG21 ' A' ' 91' ' ' VAL . 52.7 t80 -59.37 -53.53 57.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.005 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 5.9 tp -67.19 -39.38 86.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.72 -28.03 66.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 11.7 mttm -79.25 -44.72 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.003 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -80.9 -46.39 15.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -102.25 128.18 48.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -122.71 135.28 63.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.65 104.42 15.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.893 0.378 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.42 -166.43 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' CB ' HG22 ' A' ' 146' ' ' VAL . 0.3 OUTLIER 69.39 -65.4 0.3 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.063 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -54.36 -29.58 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.034 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -21.27 41.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.22 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -85.13 10.6 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.37 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -41.32 -55.62 2.68 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.706 0.289 . . . . 0.0 111.644 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.527 ' HA ' HD12 ' A' ' 86' ' ' ILE . 80.6 mt-10 -49.0 -30.53 6.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.994 0.426 . . . . 0.0 110.893 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -90.77 -38.2 13.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD23 ' OH ' ' B' 1916 ' ' TYR . 13.8 mt -54.7 -24.63 22.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.699 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 83' ' ' GLU . 12.1 mt -63.05 -42.29 96.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -58.33 -32.76 68.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.56 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -72.75 -38.34 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.044 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -65.04 -30.72 71.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -75.38 -52.89 9.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 92' ' ' PHE . 28.5 m -60.24 -45.11 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.21 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.479 ' N ' HG23 ' A' ' 91' ' ' VAL . 5.1 m-85 -59.54 -47.18 86.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -75.45 92.37 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.9 ttt-85 -75.45 -31.21 60.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -78.73 -20.11 50.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.6 41.8 98.98 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.509 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -107.75 -21.82 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.708 0.289 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 114.67 -22.23 13.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.6 mt -108.64 129.85 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 136' ' ' ILE . 18.9 mt -101.92 99.53 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.1 p -71.82 176.36 5.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.662 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -63.56 -38.41 91.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.61 -42.94 93.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.81 -31.26 72.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tp -79.1 -31.43 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -31.68 35.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.03 -30.77 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 92' ' ' PHE . 23.2 m -84.16 -32.86 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.4 mmt -65.13 -38.8 91.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -69.26 -31.46 70.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -34.04 29.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.92 -21.0 64.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.17 44.61 1.07 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.38 149.91 29.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.731 0.3 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.3 131.57 54.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.09 149.31 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.4 m -97.55 170.69 8.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.449 ' H ' HG22 ' A' ' 117' ' ' THR . 0.2 OUTLIER -61.62 -39.76 92.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -41.93 68.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -60.03 -49.21 78.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -62.75 -48.92 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.404 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.3 OUTLIER -59.93 -38.23 81.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.903 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -64.25 -34.69 78.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.756 ' HG2' HD11 ' B' 1912 ' ' ILE . 0.3 OUTLIER -70.28 -35.19 73.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.709 HG22 ' OD2' ' A' ' 129' ' ' ASP . 21.2 mt -73.93 -40.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -34.44 74.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -31.43 58.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -107.18 31.29 5.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.044 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.709 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.5 OUTLIER -109.78 99.21 8.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.9 mt -76.45 -31.11 20.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.38 -20.17 22.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 68.51 37.74 85.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -109.67 -20.41 12.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.675 0.274 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.68 39.27 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.471 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -149.06 148.75 30.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.476 ' O ' HD12 ' A' ' 100' ' ' ILE . 31.5 mt -111.0 102.56 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.24 -176.72 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.638 ' O ' HG23 ' A' ' 142' ' ' VAL . 69.4 t80 -66.1 -35.8 81.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.94 -31.23 66.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -84.32 -31.51 24.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -63.02 -32.01 73.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 138' ' ' TYR . 27.5 t -74.08 -39.4 50.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 30.5 mmm-85 -68.02 -44.45 76.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.576 ' SD ' HD13 ' B' 1912 ' ' ILE . 1.6 ttm -59.82 -41.65 91.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 146' ' ' VAL . 17.9 t -109.25 33.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.74 87.23 2.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.798 0.333 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 60.1 71.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.07 -39.53 2.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.98 62.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -86.47 -32.47 20.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.742 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.4 -31.21 33.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.752 ' O ' HG23 ' B' 1911 ' ' VAL . 21.6 t -63.56 -33.53 62.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.6 m -75.79 -27.67 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.84 -47.78 35.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.3 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 2.9 pt -57.46 -28.21 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.376 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' 1907 ' ' VAL . 25.4 t -62.79 -45.28 99.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.152 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.756 HD11 ' HG2' ' A' ' 124' ' ' MET . 3.7 mt -71.88 -35.26 53.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.29 -43.43 73.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -42.18 92.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -65.87 -43.88 87.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.185 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.56 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 17.4 t80 -70.42 -31.18 68.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -33.66 71.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -34.38 67.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 25.7 t80 -64.05 -43.71 94.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.423 HD11 ' CE2' ' B' 1916 ' ' TYR . 3.2 mt -72.36 -38.66 68.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.81 -31.69 69.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.03 58.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -86.87 -31.62 20.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 146.89 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.804 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . 0.406 HG23 ' N ' ' B' 1926 ' ' LYS . 5.9 m -137.1 -47.0 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . 0.406 ' N ' HG23 ' B' 1925 ' ' VAL . 3.0 mmtt -138.26 146.45 42.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.798 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.778 0.323 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.95 108.29 16.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.466 ' HB2' HG12 ' A' ' 146' ' ' VAL . 17.7 mm-40 -146.25 -46.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -55.4 -28.93 57.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.16 -3.12 44.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.43 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLU . 68.6 m -89.14 11.01 19.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.264 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -43.69 -30.85 0.68 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.812 0.339 . . . . 0.0 111.621 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 86' ' ' ILE . 11.9 pt-20 -75.12 -33.51 61.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -90.39 -50.55 5.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.803 179.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.04 -35.17 59.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 83' ' ' GLU . 10.3 tt -61.17 -34.06 58.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -67.96 -31.55 71.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HB2' ' HE1' ' B' 1916 ' ' TYR . . . -68.28 -34.4 76.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -59.74 -43.29 94.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.4 58.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 26.6 m -62.94 -38.96 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CE1' HG21 ' A' ' 108' ' ' VAL . 1.3 m-85 -63.97 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -79.03 91.08 4.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -40.82 93.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -74.55 -20.33 60.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.69 28.11 73.31 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.496 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.81 -21.87 17.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.314 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.3 24.84 5.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 135' ' ' HIS . 13.3 mt -146.88 145.12 29.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.827 0.346 . . . . 0.0 110.842 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.7 mt -115.04 112.59 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.7 t -89.23 -179.63 5.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -71.57 -34.29 69.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.77 -30.3 66.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 108' ' ' VAL . 33.7 mt-10 -79.47 -31.36 42.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.9 tt -72.25 -37.45 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.55 -28.53 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.991 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.14 -39.34 65.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 92' ' ' PHE . 29.8 m -81.76 -30.37 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 2.8 mmt -72.04 -43.11 65.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.9 t -59.94 -36.73 77.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.71 -39.59 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -20.96 66.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.13 48.5 0.88 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.654 ' HG3' ' HB2' ' B' 1915 ' ' ALA . 2.7 mm-40 -140.82 131.34 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 118.28 36.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.876 HD12 HG22 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -147.38 133.55 19.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.0 OUTLIER -70.69 172.55 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.472 ' H ' HG22 ' A' ' 117' ' ' THR . 1.3 m-20 -60.0 -45.61 92.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -60.14 -42.42 94.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -60.77 -31.63 70.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.876 HG22 HD12 ' A' ' 116' ' ' LEU . 28.4 t -74.68 -48.64 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -30.92 68.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -36.9 56.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.799 ' CG ' HD11 ' B' 1912 ' ' ILE . 0.0 OUTLIER -66.24 -37.01 84.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.711 HG21 ' O ' ' A' ' 134' ' ' GLY . 27.4 mt -73.82 -44.29 52.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -60.59 -27.59 67.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.09 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.6 -30.44 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.42 -30.22 17.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.27 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.64 112.2 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 140' ' ' GLU . 20.2 mt -84.73 -29.3 6.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -89.25 -20.29 24.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.7 28.35 61.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.446 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -82.48 -20.35 37.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.725 0.298 . . . . 0.0 111.22 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.711 ' O ' HG21 ' A' ' 125' ' ' ILE . . . 110.64 -24.61 16.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.474 ' HB2' HD22 ' A' ' 99' ' ' LEU . 25.7 m80 -110.47 147.92 33.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.839 0.352 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . 0.535 HG13 HG23 ' A' ' 125' ' ' ILE . 3.6 mt -91.81 91.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.173 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -62.16 159.74 14.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.507 ' O ' HG23 ' A' ' 142' ' ' VAL . 51.6 t80 -54.57 -32.81 59.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.46 -64.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.959 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.453 ' HB3' HD12 ' A' ' 130' ' ' ILE . 3.1 pt-20 -64.93 -25.33 67.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -56.95 -47.99 79.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.962 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 138' ' ' TYR . 21.8 t -63.16 -39.49 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -39.04 86.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.819 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 ttm -60.08 -36.3 77.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -33.04 73.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.797 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.466 HG12 ' HB2' ' A' ' 78' ' ' GLU . 31.3 m -109.96 30.25 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 m -106.21 103.45 12.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.825 0.345 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 166.3 24.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 6.5 mttt -115.04 149.64 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -145.66 45.98 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.95 -34.99 64.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -58.76 7.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.872 ' HA ' HD12 ' B' 1910 ' ' ILE . 12.2 p -59.06 -30.45 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -32.15 65.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.49 62.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.872 HD12 ' HA ' ' B' 1907 ' ' VAL . 14.6 mt -69.88 -39.15 77.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.108 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.589 HG23 ' O ' ' B' 1907 ' ' VAL . 24.6 t -59.74 -44.0 92.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.799 HD11 ' CG ' ' A' ' 124' ' ' MET . 4.3 mt -74.06 -32.21 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -35.42 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.83 -47.44 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.654 ' HB2' ' HG3' ' A' ' 114' ' ' GLU . . . -59.65 -30.19 68.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.417 ' HE1' ' HB2' ' A' ' 88' ' ' ALA . 15.1 t80 -81.37 -30.53 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 6.0 ttm180 -59.13 -35.47 73.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.47 -31.06 60.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 37.6 t80 -69.19 -31.18 69.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.23 -32.33 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.04 -39.14 92.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -70.21 -42.55 72.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -93.52 15.06 16.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.204 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.95 179.87 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 12.8 p -98.85 -30.87 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.29 133.51 54.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 2.5 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.3 mtp . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.845 0.355 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.74 95.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.492 ' HB2' HG12 ' A' ' 146' ' ' VAL . 2.0 mm-40 -109.03 -29.77 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.586 ' HG3' HG11 ' A' ' 146' ' ' VAL . 52.2 mt-30 -56.77 -27.63 59.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.46 -2.41 41.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.513 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLU . 72.1 m -87.66 10.92 16.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.313 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -44.27 -30.2 0.77 Allowed 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.729 0.3 . . . . 0.0 111.565 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 86' ' ' ILE . 7.1 mt-10 -75.42 -34.06 60.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' SER . 1.0 OUTLIER -90.2 -50.61 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.907 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' A' ' 81' ' ' SER . 9.7 mt -52.52 -29.69 26.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 83' ' ' GLU . 12.2 tt -66.0 -30.49 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.308 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -74.29 -30.71 62.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.999 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -73.32 -26.99 61.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.293 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -70.66 -34.45 72.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.115 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.48 -44.73 34.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.054 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 88' ' ' ALA . 12.1 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.33 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.49 ' CD1' HG11 ' A' ' 108' ' ' VAL . 0.5 OUTLIER -60.34 -70.02 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.9 83.71 4.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.51 HH21 HG13 ' A' ' 108' ' ' VAL . 1.3 mpt_? -62.33 -29.17 70.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.9 p-10 -69.48 -19.42 63.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.272 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.1 28.56 49.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.012 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.3 -22.48 44.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 0.0 111.231 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.713 ' O ' HD22 ' A' ' 99' ' ' LEU . . . 86.46 -12.93 59.58 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.637 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.713 HD22 ' O ' ' A' ' 98' ' ' GLY . 4.2 mm? -133.69 130.05 37.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.845 0.355 . . . . 0.0 110.754 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.6 mt -83.64 118.8 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.3 p -95.56 -179.34 4.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.822 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.619 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -68.87 -39.61 79.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.24 75.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 107' ' ' HIS . 9.3 mt-10 -61.31 -64.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.92 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.65 -26.19 8.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.269 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -42.1 85.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.215 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 108' ' ' VAL . 3.3 p-80 -84.28 -28.23 27.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.218 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.693 ' O ' HD13 ' A' ' 112' ' ' LEU . 41.4 t -68.58 -34.3 64.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.411 ' HB3' HD12 ' A' ' 116' ' ' LEU . 3.5 mmt -74.74 -34.43 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 25.2 m -71.46 -41.27 69.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -66.0 -42.97 89.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.693 HD13 ' O ' ' A' ' 108' ' ' VAL . 7.1 mp -63.32 -20.99 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.4 48.12 0.82 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -158.56 113.85 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -81.29 135.42 35.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.411 HD12 ' HB3' ' A' ' 109' ' ' MET . 15.2 mt -144.47 151.49 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.2 m -91.73 165.32 13.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -59.23 -32.7 70.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -77.29 -37.0 53.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.402 ' HB3' HD22 ' A' ' 116' ' ' LEU . 1.5 mt-10 -62.97 -45.36 92.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 117' ' ' THR . 21.5 t -64.28 -44.34 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.491 ' HA ' HD12 ' A' ' 125' ' ' ILE . 0.6 OUTLIER -59.6 -34.9 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.97 -32.01 73.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 2.4 mtp -77.28 -35.51 55.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 102' ' ' ALA . 17.9 mt -71.54 -44.68 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.017 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 126' ' ' ARG . 3.8 mtm105 -57.93 -42.67 85.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.13 -30.6 71.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -111.2 32.49 5.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.51 96.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.5 mt -78.48 -33.05 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -84.06 -20.25 32.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.06 35.1 88.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.427 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -107.79 -20.38 13.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 111.232 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.77 35.59 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -142.04 155.13 45.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 31.3 mt -116.34 116.6 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -102.82 176.89 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -60.1 -35.82 76.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -32.7 68.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -83.56 -35.27 24.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -60.19 -40.73 91.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.746 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.5 m -67.72 -36.81 77.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -42.65 95.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.823 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -67.11 -39.94 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -43.45 98.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 142' ' ' VAL . 28.4 m -105.11 30.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.079 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.9 p -70.94 145.02 50.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.836 0.351 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -101.21 127.11 47.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 10.6 mttp 64.11 -76.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.19 28.64 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.06 -37.64 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -70.62 -38.98 74.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.512 ' HA ' HD12 ' B' 1910 ' ' ILE . 32.1 t -60.17 -47.73 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 34.2 p -69.51 -30.23 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.78 92.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.512 HD12 ' HA ' ' B' 1907 ' ' VAL . 7.0 mt -63.62 -32.18 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.444 HG23 ' O ' ' B' 1907 ' ' VAL . 21.8 t -58.51 -50.84 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 4.0 mt -75.56 -36.66 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -64.69 -50.63 66.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . 0.508 ' HG3' HG22 ' B' 1910 ' ' ILE . 1.0 OUTLIER -66.88 -50.18 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -58.4 -33.99 70.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.482 ' CE2' HD13 ' B' 1920 ' ' LEU . 9.4 t80 -83.48 -27.98 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.052 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -30.97 65.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -83.0 -38.98 21.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -63.71 -34.91 78.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.482 HD13 ' CE2' ' B' 1916 ' ' TYR . 0.3 OUTLIER -75.68 -42.97 49.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -45.24 73.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -32.63 74.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -68.96 -31.73 70.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -91.68 -66.2 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.5 t -151.98 143.33 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.07 125.76 9.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.88 163.98 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.508 ' HB2' HG12 ' A' ' 146' ' ' VAL . 1.5 mt-10 -110.49 -31.27 7.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -86.33 -30.54 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.84 -1.89 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.43 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 84' ' ' GLU . 2.4 p -88.49 10.94 18.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.603 -0.271 . . . . 0.0 111.342 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -44.48 -30.33 0.85 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.745 0.307 . . . . 0.0 111.426 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 86' ' ' ILE . 39.4 mt-10 -74.91 -34.25 62.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.812 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' HG2' HD11 ' B' 1920 ' ' LEU . 1.4 mt-10 -90.29 -51.28 5.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD11 ' O ' ' A' ' 78' ' ' GLU . 8.5 mt -52.5 -33.28 44.27 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 83' ' ' GLU . 14.6 tt -63.01 -31.28 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -71.97 -32.18 67.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.532 ' HA ' HG12 ' A' ' 91' ' ' VAL . . . -70.11 -29.46 66.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -72.69 -30.81 64.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -80.5 -43.84 20.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.8 p -69.64 -26.35 30.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.66 ' CD2' HD13 ' A' ' 100' ' ' ILE . 1.6 m-85 -68.31 -40.55 81.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.09 77.08 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.01 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 4.0 mtp180 -76.77 -26.35 54.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.838 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -69.44 -16.53 63.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.16 31.88 37.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.041 -179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -83.62 -22.42 32.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.711 0.291 . . . . 0.0 111.156 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.73 -30.15 7.23 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.466 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 99' ' ' LEU . 3.6 mp -130.77 147.14 52.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.713 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.66 HD13 ' CD2' ' A' ' 92' ' ' PHE . 32.5 mt -77.56 105.98 7.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.188 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.3 p -81.52 -176.3 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.27 -28.07 61.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.198 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -78.32 -30.06 48.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -80.01 -29.97 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.5 OUTLIER -64.94 -41.36 95.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.096 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.35 -29.65 42.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.029 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.419 ' O ' HG22 ' A' ' 110' ' ' THR . 2.9 t60 -67.53 -38.65 84.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.937 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.9 p -80.08 -30.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.22 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -38.04 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 107' ' ' HIS . 11.3 t -67.15 -35.86 80.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -33.6 58.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.58 -21.09 61.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.013 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.04 44.5 1.01 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -146.51 127.29 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.831 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -90.32 115.88 27.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -126.15 135.27 51.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.4 168.81 13.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -68.3 -24.53 64.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.054 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.65 -35.35 16.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.798 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -72.63 -31.28 65.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.794 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.407 HG22 HD11 ' A' ' 125' ' ' ILE . 14.0 p -72.4 -31.87 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.88 -33.97 77.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.52 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -43.29 97.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.428 HG22 ' OD2' ' A' ' 129' ' ' ASP . 26.8 mt -72.42 -33.7 46.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -30.44 68.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.88 -30.0 40.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.82 -30.82 21.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.182 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' OD2' HG22 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -78.08 96.15 5.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.6 mt -86.41 -27.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 10.7 p30 -89.61 9.8 25.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.363 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 53.79 23.91 23.94 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.624 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -78.36 -20.46 51.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.652 0.263 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.26 -17.08 58.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.692 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -116.16 162.71 17.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 110.9 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 28.3 mt -96.03 104.67 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.65 172.56 12.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.815 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.696 ' O ' HG23 ' A' ' 142' ' ' VAL . 34.1 t80 -57.63 -46.19 84.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.16 -36.48 81.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.6 -43.24 85.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -60.11 -32.76 71.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 138' ' ' TYR . 28.5 t -69.87 -48.62 62.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.092 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -61.59 -38.58 88.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.438 ' SD ' HG21 ' B' 1912 ' ' ILE . 4.2 tmm? -71.8 -34.64 69.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.443 ' HG3' HD13 ' A' ' 85' ' ' LEU . 4.4 mmt -64.57 -51.23 63.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 78' ' ' GLU . 35.4 m -75.84 -25.08 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.339 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -55.4 126.1 23.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.872 0.367 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -123.18 -49.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 3.6 mttt -70.44 112.95 7.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -128.28 -46.89 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -78.07 -42.08 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -59.66 -41.11 89.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.593 ' HA ' HD12 ' B' 1910 ' ' ILE . 29.3 t -60.3 -48.26 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.209 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 1.2 m -60.88 -30.8 70.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -67.81 -33.03 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . 0.593 HD12 ' HA ' ' B' 1907 ' ' VAL . 15.2 mt -71.99 -38.8 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.455 HG13 HH21 ' B' 1914 ' ' ARG . 21.9 t -59.33 -40.45 81.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . 0.438 HG21 ' SD ' ' A' ' 144' ' ' MET . 24.7 mm -80.08 -29.54 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -73.21 -35.35 66.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . 0.455 HH21 HG13 ' B' 1911 ' ' VAL . 29.4 ptt180 -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.995 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.88 76.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . . . . . . . . . 31.3 t80 -87.92 -28.82 21.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -29.55 65.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.992 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -87.92 -35.66 17.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -64.17 -39.83 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 84' ' ' GLU . 3.5 tp -75.54 -31.25 60.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.05 -30.85 58.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 2.8 mttt -83.61 -45.78 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -33.0 71.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.95 139.2 34.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 11.0 p -127.55 138.35 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.8 133.51 55.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 26.8 pttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.874 0.368 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -158.53 139.58 13.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.663 ' HB3' HG12 ' A' ' 146' ' ' VAL . 2.8 mt-10 -135.07 -53.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.803 179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.08 -23.97 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.969 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.8 -3.15 39.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.575 -179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 40.5 t -85.84 10.86 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.4 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -44.13 -30.63 0.79 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.693 0.282 . . . . 0.0 111.453 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.456 ' O ' HG22 ' A' ' 86' ' ' ILE . 12.7 pt-20 -74.38 -34.1 63.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.803 179.789 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' SER . 0.2 OUTLIER -90.22 -49.76 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.868 179.746 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.32 -34.13 60.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 83' ' ' GLU . 17.0 tt -61.91 -32.55 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.38 -31.54 70.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' B' 1916 ' ' TYR . . . -72.66 -28.33 62.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.067 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.87 -32.97 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -78.23 -49.34 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 88' ' ' ALA . 11.3 p -59.31 -44.09 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE2' HG21 ' A' ' 108' ' ' VAL . 4.3 m-85 -60.21 -52.32 65.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -70.08 83.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -30.17 71.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -78.9 -20.29 49.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.176 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.23 41.57 98.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.7 p30 -106.46 -21.98 12.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.271 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.38 -22.92 19.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.33 131.8 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 22.8 mt -110.84 100.68 11.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.6 m -75.05 -179.61 4.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 125' ' ' ILE . . . -64.15 -39.35 93.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.13 -32.93 74.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -70.3 -42.07 72.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD12 HD13 ' A' ' 125' ' ' ILE . 0.4 OUTLIER -65.0 -29.97 70.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -85.19 -31.27 23.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -31.75 72.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.548 HG21 ' CE2' ' A' ' 92' ' ' PHE . 20.6 m -88.65 -29.68 5.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.6 mmt -65.63 -40.26 92.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.6 t -67.62 -38.97 84.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.61 -36.3 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.557 HD13 ' HB1' ' B' 1915 ' ' ALA . 0.4 OUTLIER -68.13 -20.98 64.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.71 36.94 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -137.8 139.13 39.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -101.83 125.87 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.2 mp -137.48 138.06 39.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.793 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.3 m -82.87 170.79 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.444 ' H ' HG22 ' A' ' 117' ' ' THR . 2.4 p30 -64.64 -41.19 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.66 -36.51 73.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.71 -38.84 87.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 117' ' ' THR . 29.0 t -75.62 -42.59 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -57.08 -30.38 64.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.95 -30.01 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 36.7 mtp -73.17 -32.16 64.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 102' ' ' ALA . 36.5 mm -66.1 -46.14 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -61.16 -48.16 82.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -64.1 -29.31 70.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.23 -39.97 20.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.4 94.64 4.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 130' ' ' ILE . 3.0 mt -81.44 -3.01 6.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.514 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.58 -20.26 13.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.734 0.302 . . . . 0.0 111.383 -179.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.17 27.25 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.165 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -88.81 -20.54 24.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.301 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.9 3.4 89.28 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.146 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -129.59 133.05 46.96 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.544 179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ILE . . . . . . . . . . . . . 25.9 mt -76.09 100.11 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.313 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -172.54 2.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.813 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -67.98 -52.02 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -67.47 -31.33 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -74.86 -37.88 62.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -64.28 -42.58 96.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 146' ' ' VAL . 30.8 m -67.45 -35.78 74.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.44 -39.35 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 8.9 ttp -64.34 -32.26 73.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.55 -40.47 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' A' ' 78' ' ' GLU . 31.1 m -99.13 30.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -31.28 13.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1901 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.756 0.312 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1902 ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -93.01 111.12 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1903 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 128.19 55.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1904 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.05 145.15 4.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1905 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.94 -30.64 15.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.977 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1906 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.53 -36.74 71.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1907 ' ' VAL . . . . . 0.528 ' O ' HG23 ' B' 1911 ' ' VAL . 24.0 t -75.62 -31.15 22.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.165 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1908 ' ' SER . . . . . . . . . . . . . 2.5 p -78.39 -30.78 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1909 ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.95 74.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1910 ' ' ILE . . . . . . . . . . . . . 18.5 mt -72.96 -31.13 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1911 ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' 1907 ' ' VAL . 21.5 t -68.35 -35.14 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1912 ' ' ILE . . . . . . . . . . . . . 22.1 mt -80.93 -30.96 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.199 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1913 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -47.58 38.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1914 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.93 82.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1915 ' ' ALA . . . . . 0.557 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -60.61 -58.92 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1916 ' ' TYR . . . . . 0.528 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 27.4 t80 -62.74 -27.19 69.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1917 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -57.13 -35.92 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1918 ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -77.37 -31.53 54.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1919 ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.05 -42.45 94.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1920 ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.46 -31.62 62.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1921 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -30.63 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1922 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -38.24 64.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1923 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -33.33 73.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1924 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.37 118.9 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B 1925 ' ' VAL . . . . . . . . . . . . . 21.7 t -112.82 -67.16 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1926 ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -131.55 153.73 49.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B 1927 ' ' LYS . . . . . . . . . . . . . 1.4 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 2001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A 2002 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_