data_2yuf_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 2yuf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.07 169.14 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.89 71.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.24 -32.69 22.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.44 66.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.23 71.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -66.06 -30.19 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.96 -38.43 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.21 53.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.95 -30.85 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.17 -39.4 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.14 -30.24 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -20.92 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -28.1 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.1 ptp -86.9 -25.85 24.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.74 59.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.283 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.92 -51.28 11.52 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.541 2.16 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -70.63 -31.02 67.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.92 139.73 85.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.39 167.41 26.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -110.27 141.15 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.07 106.0 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.13 -31.19 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -71.58 -32.94 68.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -71.01 -55.02 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 m -59.41 -27.18 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -56.66 -56.86 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -30.7 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.08 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.32 -51.72 41.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -26.25 64.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -82.09 -33.49 29.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.01 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -101.77 175.25 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -129.07 -49.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.86 -39.45 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -76.47 -30.95 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.06 -37.29 69.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -31.27 26.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ttt -66.72 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pt -134.9 34.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.8 -42.89 7.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.414 ' CD2' HG13 ' A' ' 54' ' ' ILE . 19.9 p-80 -59.06 -27.85 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' CD2' ' A' ' 53' ' ' HIS . 24.3 mt -69.51 -33.93 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -69.61 -42.1 74.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -32.07 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 177.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -176.17 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.15 -40.87 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 57.79 4.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.09 117.42 17.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.62 -27.78 26.97 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.412 2.075 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.13 -30.94 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.84 -55.33 35.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.14 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.74 -30.32 64.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.72 -35.04 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.1 mt -78.36 -44.64 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -59.9 -32.29 70.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -79.11 -42.52 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -73.04 -31.24 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -71.0 77.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.83 120.64 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -111.65 -32.25 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.812 0.339 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 t -123.92 -44.39 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.9 tp -176.11 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -69.47 -48.41 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -60.74 -31.46 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.46 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.9 m -80.6 -39.37 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.02 -31.01 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -57.62 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.71 -30.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.6 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.68 -32.3 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.27 -31.51 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.28 -38.49 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.0 m -59.89 -31.11 69.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -64.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -63.97 -32.49 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.69 89.8 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.87 -25.22 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.14 66.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.2 -24.94 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.7 -34.33 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.2 p -82.33 -39.28 23.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -78.41 101.86 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -45.38 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -48.18 81.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.03 -51.35 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -67.98 -29.52 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.68 -30.48 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.12 -48.28 53.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.12 90.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.3 mtp85 -61.96 -30.93 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.014 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -62.11 -46.25 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.3 mt -78.76 -32.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.9 t -59.96 -39.09 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -79.41 -30.96 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.53 -52.31 65.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -27.18 68.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -56.98 -62.52 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -172.48 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.51 -35.74 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.17 22.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.48 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.52 91.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.94 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -70.55 -46.33 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.74 -31.88 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -44.57 16.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.3 -30.34 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.3 -19.7 31.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -27.82 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.016 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 ptp -88.28 -27.58 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.1 -52.9 70.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.247 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.64 -43.91 51.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.533 2.155 . . . . 0.0 112.323 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -80.37 -26.99 38.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.21 123.96 57.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.85 175.94 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 163.27 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -124.47 133.13 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -95.68 102.45 14.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.9 -29.45 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.22 -30.31 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.09 -32.83 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -86.42 -24.42 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -57.74 -58.11 9.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.49 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.24 -30.21 70.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.8 mt -79.36 -38.1 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -28.19 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -83.48 -33.07 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -85.57 175.96 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -46.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -53.14 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.84 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -26.69 57.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -28.82 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -80.45 -66.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.1 36.86 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.242 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.32 -41.93 3.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.415 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -60.81 -28.97 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mt -65.44 -33.55 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.404 ' CD2' HD11 ' A' ' 41' ' ' LEU . 13.9 m-85 -65.44 -53.39 43.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -28.43 69.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.78 172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.64 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.49 -31.67 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -125.66 65.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.68 146.86 33.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.99 -32.49 17.52 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -75.27 -26.68 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -36.31 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.62 -30.55 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -84.23 -32.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.83 -34.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.8 mt -80.71 -45.64 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -59.13 -29.83 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.38 -47.41 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.009 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -81.82 -27.19 33.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -56.96 90.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.9 126.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.3 mt -110.48 -33.95 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t -152.85 -53.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.4 tp -176.14 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -68.17 -50.32 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.26 -31.46 69.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.4 -48.25 82.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -46.54 89.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.03 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.7 t -55.97 -28.58 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.53 -61.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.239 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.47 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.237 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.24 84.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.29 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.17 -39.87 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.02 -30.77 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.03 -50.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -42.19 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.68 113.72 18.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.011 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -30.09 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.1 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.63 -29.98 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.16 -32.09 67.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -38.21 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.57 89.37 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -44.1 69.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.15 -31.65 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.3 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -32.37 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -70.54 -44.23 67.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.4 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.55 -51.42 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.72 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -73.0 -31.36 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -41.25 92.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.56 -34.59 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -59.84 -50.95 71.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -63.14 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.99 -44.02 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.68 -33.4 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -31.78 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.21 -54.52 43.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.45 -169.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.34 -43.19 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.78 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -50.83 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.31 -52.08 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -60.01 -31.24 69.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.97 -30.37 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.67 -25.98 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.43 -48.82 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.062 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -47.09 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -55.12 -28.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.273 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -87.13 -21.91 25.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -25.44 20.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ptp -88.12 -28.28 21.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -58.29 -53.21 68.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 73.0 Cg_exo -49.42 -42.43 41.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.681 2.254 . . . . 0.0 112.482 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 t -81.35 -31.15 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.23 138.06 56.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 176.54 9.91 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.36 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -130.28 166.82 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.08 161.01 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.65 159.87 19.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.37 -30.93 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -60.59 -31.77 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.7 m -58.81 -29.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.251 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -58.93 -58.01 10.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.27 -31.0 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.24 -30.04 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 55' ' ' PHE . 95.9 mt -72.86 -41.04 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 t -88.15 -31.81 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.57 169.62 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -138.97 -47.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -58.73 -31.43 68.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -92.68 -31.6 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -91.96 -25.08 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -59.75 2.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 pt -128.75 31.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.379 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.64 -36.1 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.405 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -65.36 -27.75 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -70.25 -37.63 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.8 m-85 -64.11 -48.51 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttp -62.12 160.24 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.98 -177.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.6 -36.17 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.2 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -108.73 120.9 44.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.99 -28.73 41.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.467 2.111 . . . . 0.0 112.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.31 -54.1 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -29.24 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.18 -27.87 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -87.85 -46.83 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.93 -38.12 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.44 -30.73 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -70.64 -39.82 73.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -84.1 -32.17 24.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.8 m -73.07 91.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.5 98.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mt -79.5 -39.85 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' CE1' ' CG1' ' A' ' 95' ' ' VAL . 14.4 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.1 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 t -126.92 -51.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -176.41 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -59.41 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.74 -29.17 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 -35.34 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -66.59 -30.94 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 ' CG1' ' CE1' ' A' ' 75' ' ' TYR . 27.7 t -64.88 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -83.71 -52.21 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -30.63 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.94 70.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.69 -28.79 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.17 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.243 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.69 -35.26 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.1 -31.19 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.78 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.55 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -59.79 -31.76 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -129.29 94.4 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.413 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -63.11 -30.1 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.56 -29.85 66.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.69 -25.0 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.68 -35.77 66.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.9 p -77.93 -40.25 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -75.97 101.69 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -82.17 -42.13 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.94 -41.5 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -49.35 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.3 tp -66.16 -30.15 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -69.5 -30.4 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.27 -44.25 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.71 -38.19 80.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.35 57.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -60.31 -28.11 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.85 -57.51 12.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.3 mt -70.2 -31.52 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -29.84 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -38.11 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -37.18 86.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.4 t -67.39 -46.09 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -65.34 -37.38 86.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -59.82 -56.95 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.793 0.33 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -101.31 177.23 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.51 90.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.54 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.14 90.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.49 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.81 -40.0 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -38.58 83.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.49 -41.79 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -30.95 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.63 -44.77 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 t -60.44 -46.35 90.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.61 -29.98 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -80.71 -24.56 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -83.35 -30.09 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.031 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ptp -87.06 -23.41 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.74 -53.24 62.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.312 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.3 -46.8 29.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.8 p -73.34 -32.71 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.51 124.01 89.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.81 158.54 8.36 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.337 2.025 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 155.76 18.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 157.33 34.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.03 131.56 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.2 -31.7 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.47 -31.25 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.83 -42.52 85.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.19 -28.83 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -57.97 -50.84 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.17 -30.05 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.46 -36.3 76.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.56 -38.07 88.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -27.81 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.5 p -94.14 -33.58 13.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -80.59 176.03 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -136.34 -55.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.17 -47.24 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.25 -34.77 73.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.26 -28.04 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttt -80.96 -67.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.086 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 pt -122.9 37.54 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.24 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.12 -34.5 6.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -72.5 -28.75 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.83 -34.75 69.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.98 -31.55 71.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.02 -32.02 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttp -68.75 164.22 22.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -78.56 169.38 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.78 32.1 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.83 33.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.67 137.59 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.92 -27.77 55.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.464 2.109 . . . . 0.0 112.347 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.65 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.59 -30.77 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -85.62 -30.32 23.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.11 -47.8 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.7 mt -62.92 -44.29 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -65.04 -29.68 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -33.4 66.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 43.9 m-85 -92.72 -31.26 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -75.88 78.42 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.41 91.12 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.26 -34.9 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 92' ' ' GLU . 70.1 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 t -145.34 -48.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -176.04 -54.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -51.9 63.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 23.5 mt-10 -60.2 -30.89 69.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.02 -30.81 71.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -39.1 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.013 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.55 -27.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.25 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.52 -30.36 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.045 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -91.93 -29.22 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -60.47 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.17 -28.17 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.247 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.16 -35.15 71.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.69 -34.53 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.38 -32.34 73.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.88 -31.02 66.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.22 -46.39 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -63.76 -48.22 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -124.51 102.84 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.79 -28.82 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.67 -27.82 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.22 -29.98 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 p -82.72 -48.06 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -77.43 89.4 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -75.32 -41.36 57.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.2 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -82.76 -44.53 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.49 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.81 -30.7 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.97 -30.56 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.9 mt -77.12 -37.84 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.74 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.87 -58.48 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 33.1 mt -69.31 -27.37 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -57.79 -31.94 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -86.38 -31.48 21.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -30.62 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.2 t -80.82 -52.15 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.7 m -59.7 -33.91 72.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.11 -42.52 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.04 175.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 -43.52 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.15 -30.7 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.39 70.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.48 -36.99 77.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -30.92 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.56 -30.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.53 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -82.75 -39.67 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.39 -47.66 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.88 -31.81 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.19 -24.09 37.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -29.73 19.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.027 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.1 ptp -88.23 -26.63 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -57.39 -53.22 67.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.13 -31.84 46.91 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.57 2.18 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -86.29 -31.37 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.16 140.97 90.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.23 -170.47 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.504 2.136 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.53 134.14 55.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -93.99 178.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -103.89 130.4 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -90.8 -30.86 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -56.52 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -59.27 -29.51 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -59.14 -53.64 56.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -30.84 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -25.35 64.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 mt -85.48 -43.21 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -29.13 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -88.82 -31.67 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -98.82 118.01 34.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -75.74 -32.23 59.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -72.36 -48.82 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.29 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -87.93 -29.76 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ttt -79.07 -67.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 pt -123.29 43.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.179 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.35 -29.31 5.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -70.58 -28.68 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.21 -30.96 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -71.63 -31.48 66.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.0 -46.29 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 ttt -60.49 161.52 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -76.47 -175.95 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -109.39 -29.91 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -30.54 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.77 129.57 94.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.07 -25.3 19.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.519 2.146 . . . . 0.0 112.403 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -56.15 -23.26 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.8 -31.1 58.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.65 -31.0 68.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.55 -42.05 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -73.86 -29.3 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -61.8 -28.89 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.56 -43.38 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -76.57 -32.18 57.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.4 p -60.59 89.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -118.79 -41.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 92' ' ' GLU . 46.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t -139.24 -51.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -176.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -39.76 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' CD2' ' A' ' 75' ' ' TYR . 2.1 mp0 -60.37 -30.79 69.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.49 -31.25 42.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -31.19 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.26 -39.86 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -62.11 -30.37 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -29.52 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.83 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.207 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.61 -21.27 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.372 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.04 56.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -93.46 -31.11 14.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.975 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.2 -40.63 86.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.34 -30.14 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.13 -64.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.265 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -57.36 -54.7 43.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.65 101.31 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.2 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.34 -28.22 64.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.29 -32.78 66.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.8 p -90.41 -31.74 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.22 111.23 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -89.77 -41.64 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -54.8 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -59.5 -52.56 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.2 tp -57.87 -29.19 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.1 -30.14 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.68 -41.52 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.0 -45.32 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.26 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -29.02 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.66 -32.56 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mt -84.69 -32.07 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 t -63.46 -48.64 76.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -30.58 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.66 -53.28 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.23 -43.64 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.7 m -59.77 -39.38 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.09 -57.72 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.99 -179.73 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -30.51 55.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.65 -31.21 18.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.12 -44.64 68.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.55 -28.7 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.238 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -44.73 64.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -59.14 -38.85 80.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.995 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.65 -29.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.89 23.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.235 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -76.74 -40.09 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.33 -48.27 57.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.53 -28.87 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.73 -19.83 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.272 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -27.5 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -88.22 -30.64 19.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.85 71.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -55.81 -34.84 92.44 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.302 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.3 p -81.64 -34.47 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.59 140.34 89.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.86 167.06 27.91 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.362 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -95.03 156.39 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -106.35 173.15 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -79.31 102.82 8.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.27 -54.41 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.22 -30.57 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -64.46 -48.34 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -29.9 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -31.42 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.17 -40.22 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.63 -28.29 69.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.013 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.7 t -88.76 -34.67 17.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.75 172.15 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -42.99 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -59.46 -57.12 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.93 -31.27 70.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.94 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -88.92 -29.53 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -67.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.13 40.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.17 -36.33 4.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -66.81 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.307 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.21 -32.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.2 m-85 -67.5 -53.29 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.22 -25.71 66.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.26 151.39 9.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 154.93 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -88.67 -29.15 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.17 38.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.36 135.56 23.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.88 -28.68 16.24 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.501 2.134 . . . . 0.0 112.272 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -62.85 -26.84 68.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -56.48 -49.55 74.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.9 -43.43 90.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -31.25 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.98 -42.15 40.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 mt -66.29 -40.49 86.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -70.14 -31.35 68.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -58.85 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.53 -28.44 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -60.36 86.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.38 126.73 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -133.37 18.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CD2' ' HG2' ' A' ' 92' ' ' GLU . 15.4 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.347 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -109.59 -43.4 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -173.18 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -59.48 -40.33 86.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -68.91 -30.84 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.85 -34.02 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -78.14 -31.73 49.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.1 t -67.92 -48.34 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -35.85 82.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.04 -41.86 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.57 -31.04 69.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.04 -35.74 56.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.77 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.19 -38.08 82.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.9 mt -71.96 -34.18 68.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.33 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.98 -49.89 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -136.35 111.03 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -66.3 -30.72 71.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.39 -29.91 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.08 -28.86 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.78 -35.83 71.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.6 p -77.77 -31.14 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.76 125.2 27.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.33 -33.03 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.67 -37.5 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -41.93 98.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.6 tp -76.43 -30.71 57.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.16 -30.39 70.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.66 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.72 -49.63 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.33 -28.54 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.16 -48.47 80.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.59 -30.08 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -57.23 -32.16 66.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -88.66 -40.1 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.8 t -80.33 -50.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -59.71 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.35 175.15 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -31.32 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.29 9.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.91 74.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.58 -35.0 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.03 -34.2 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.47 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -83.31 -30.94 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.25 -45.45 55.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.21 -29.65 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.79 -23.83 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -84.84 -43.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.319 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 ptp -77.83 -22.36 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.4 -61.43 6.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.515 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 36.0 Cg_endo -65.33 -32.39 50.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.664 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -75.49 -33.04 60.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.84 152.09 95.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 -169.16 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -178.37 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.61 166.95 22.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.32 133.95 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.88 -31.64 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.98 -31.36 72.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -47.37 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.24 -26.69 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.6 -39.43 73.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.51 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -31.27 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.14 -31.66 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -68.31 -28.27 67.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.5 p -82.46 -32.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -105.14 178.68 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -44.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.17 -41.12 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.2 -32.56 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.01 -24.05 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -92.89 -28.19 16.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -82.26 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.7 pt -119.9 34.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.77 -41.93 3.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -65.81 -29.84 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.6 mt -66.81 -30.94 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.53 -36.91 85.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.49 -31.4 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 169.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -100.83 152.04 20.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.36 -28.13 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.79 57.24 4.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.92 139.14 14.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.23 -28.47 15.39 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.62 2.214 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -74.99 -29.68 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -45.09 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -29.4 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.88 -42.21 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.6 mt -64.85 -45.66 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -58.79 -28.15 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -69.14 -33.86 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -94.49 -40.69 9.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 p -59.01 97.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.69 104.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.52 -50.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 t -96.67 -40.53 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -176.69 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.17 -46.98 87.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.21 -31.67 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.51 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -70.93 -42.0 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.55 -36.87 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.88 -59.63 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.64 -59.4 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.41 92.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -75.85 -33.11 60.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.55 -39.58 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.85 -30.5 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.3 t -59.82 -58.25 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -60.12 -46.66 88.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -108.31 104.41 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.47 -26.26 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.9 73.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.98 -30.21 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.92 -33.17 71.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.0 p -85.56 -38.52 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -97.96 101.1 12.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -79.16 -28.91 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -53.88 53.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -34.83 78.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.93 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.17 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.63 -56.76 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.69 -40.41 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.34 87.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.285 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -29.58 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.75 -31.23 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.063 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.4 mt -88.53 -30.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -30.31 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.997 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -31.09 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.56 -46.85 77.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.82 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -31.06 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -72.43 -62.21 1.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.7 -175.11 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.62 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.92 -49.93 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.27 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.71 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -69.71 -40.39 76.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -49.3 78.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.44 -41.22 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.8 72.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.67 -31.23 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -46.69 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -56.35 -29.75 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.34 -18.45 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -46.22 8.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.1 ptp -70.62 -27.29 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.26 -61.56 6.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.517 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 18.0 Cg_endo -59.77 -42.04 49.53 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.48 2.12 . . . . 0.0 112.445 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -67.94 -29.8 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.15 156.28 88.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.55 -177.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.574 2.183 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 125.03 53.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 m -100.47 134.58 43.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 128.86 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.66 -31.45 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.14 -31.41 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.12 -49.86 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -70.36 -30.33 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.07 -47.49 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.35 -33.94 73.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -36.53 77.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mt -73.07 -30.32 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -30.6 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.6 p -86.87 -31.81 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -91.61 152.94 20.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.01 -31.57 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -79.75 -45.36 19.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -32.62 73.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.96 -29.26 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -86.41 -28.05 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -65.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 pt -129.92 36.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.316 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.63 -45.36 3.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -60.64 -29.32 69.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.5 -40.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.41 -50.86 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.61 175.9 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.22 -170.93 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.7 -31.16 8.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 30.95 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.52 131.08 44.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.02 -46.91 30.1 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.381 2.054 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -59.27 -25.59 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -55.8 -37.94 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -71.99 -45.41 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.66 -41.15 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.58 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mt -64.26 -40.98 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -60.3 -31.17 70.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -66.47 -55.66 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -72.22 -41.25 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.3 m -65.8 82.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.13 78.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.4 mt -72.11 -30.1 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -136.79 -46.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -170.04 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.89 -51.36 70.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.65 -31.06 71.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.37 -40.41 70.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -50.54 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.33 -28.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.41 -38.04 85.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.93 -31.75 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.7 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.55 -30.55 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.9 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -70.32 -30.9 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.55 -33.13 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.68 -31.14 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 t -68.7 -54.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -60.0 -39.58 86.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.33 115.24 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.98 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.9 -28.47 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.99 -35.01 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 p -83.56 -31.05 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -79.16 98.87 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -33.21 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.88 -30.49 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.01 -44.68 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.26 -35.17 74.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.67 -30.05 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.5 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.95 -34.08 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.31 77.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.113 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -33.77 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.86 -44.57 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.88 -32.75 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.43 -59.19 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -59.01 -29.63 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.32 -51.83 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 39.8 p -58.04 -35.91 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -79.81 -69.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.39 166.81 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -30.79 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.25 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.66 83.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.69 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -31.11 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.43 -45.41 54.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.16 -31.04 43.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.23 58.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.22 -31.3 16.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 m -73.74 -38.61 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.34 -30.11 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -92.44 -15.8 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -29.24 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptp -88.9 -26.25 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -53.08 65.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.381 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.72 -42.91 54.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -73.63 -31.84 63.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.1 mt -74.32 152.82 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 140.56 40.75 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.531 2.154 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.2 p -119.34 148.24 43.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.91 155.16 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.08 -30.52 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.43 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.44 -39.52 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -83.18 -26.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -56.79 -51.25 69.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -31.42 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.9 -31.59 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 55' ' ' PHE . 54.4 mt -83.07 -29.48 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -24.41 58.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.5 t -80.36 -35.07 35.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -111.87 136.78 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.1 -30.98 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -74.35 -40.21 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.46 -49.8 61.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.33 75.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.66 -19.72 65.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -66.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.242 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 pt -124.36 45.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.05 -26.57 10.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -71.59 -30.1 65.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.3 mt -67.32 -34.91 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' HD12 ' A' ' 41' ' ' LEU . 34.5 m-85 -63.85 -31.13 72.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.44 -31.45 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.92 144.1 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -76.55 157.78 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.91 -31.39 66.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.69 -30.91 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.99 109.79 2.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -26.8 32.24 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.71 -30.24 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -43.36 93.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.52 -31.0 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -81.81 -35.86 29.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.98 -42.79 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.1 mt -71.74 -49.88 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -59.88 -31.26 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -44.26 94.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -80.52 -31.62 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -69.56 87.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.33 99.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.73 -32.03 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' HG12 ' A' ' 95' ' ' VAL . 15.1 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.1 t -131.87 -50.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 tp -177.35 -59.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.94 -29.56 65.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -74.25 -38.83 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.86 -30.49 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.7 m -63.85 -40.83 97.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 75' ' ' TYR . 21.1 t -58.29 -45.54 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -59.93 -50.66 72.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.38 -45.46 79.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.21 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.98 -29.12 66.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.91 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.63 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.78 -55.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.234 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -59.44 -31.3 69.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.99 109.26 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -30.51 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.3 -27.95 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.97 -28.59 69.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.84 -34.06 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 p -82.54 -34.41 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -89.98 113.12 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.62 -35.3 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.89 60.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.91 -43.6 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.36 -33.95 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -61.51 -30.51 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.13 -42.59 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.88 -46.36 89.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.58 79.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -63.41 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -55.47 34.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.04 -26.1 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.29 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 m -56.11 -30.19 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -85.29 -32.01 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -36.4 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.6 t -71.15 -38.38 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.2 m -80.52 -33.98 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.407 ' CD2' ' HG3' ' A' ' 130' ' ' LYS . 32.8 t80 -60.54 -52.59 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 129' ' ' TYR . 57.6 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.0 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.739 0.304 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -104.42 178.93 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.24 72.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -47.73 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.36 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.29 -33.86 32.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.84 -31.24 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -62.91 -33.75 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -72.79 -42.89 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.11 -29.89 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.62 -34.64 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -77.07 -38.26 52.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -56.76 -27.78 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.92 -16.33 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.315 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -26.75 23.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.743 0.306 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.3 ptp -86.62 -22.82 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.41 58.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 111.319 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.4 -45.54 39.05 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.522 2.148 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -68.16 -34.0 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.967 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.15 160.24 17.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.07 171.98 12.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -65.33 146.73 54.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 123.55 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.36 152.94 50.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.49 -35.23 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -62.53 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.88 -38.71 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.4 m -89.9 -26.41 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.74 77.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -60.22 -30.83 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -31.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' CD1' ' CD2' ' A' ' 55' ' ' PHE . 18.1 mt -80.53 -30.73 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -73.5 -25.07 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -32.95 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -105.7 163.91 12.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -113.49 -36.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -62.75 -39.02 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.23 -45.89 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.11 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -74.64 -30.49 61.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.8 ttt -66.54 -66.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 pt -138.94 30.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.16 -35.98 41.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -63.85 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.46 -32.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CD2' ' CD1' ' A' ' 41' ' ' LEU . 25.4 m-85 -68.31 -40.91 81.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -77.23 -29.88 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 168.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 152.48 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.36 30.26 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.6 38.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.98 161.59 22.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.58 -29.39 30.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.17 -32.43 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -35.18 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.52 -30.63 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.31 -30.13 69.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.2 mt -93.14 -41.46 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -60.34 -26.11 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.32 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.78 -34.72 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 p -74.53 92.81 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.67 97.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mt -75.02 -52.43 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 92' ' ' GLU . 89.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.823 0.344 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -176.13 75.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt 66.48 -71.52 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 75' ' ' TYR . 7.2 mp0 -58.97 -30.82 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.29 -30.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 m -76.05 -40.24 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.04 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.99 -45.94 72.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.47 -26.89 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.56 62.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.93 -29.66 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.094 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.26 -31.46 38.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.07 -38.68 82.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.29 -31.11 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.62 -53.72 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -62.17 -52.86 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.07 103.49 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -28.23 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.24 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.64 -25.72 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.85 -30.82 62.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.2 p -80.44 -31.35 37.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -92.77 97.5 10.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -41.9 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.85 -54.55 40.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -33.7 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.79 -31.52 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -80.46 -30.7 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.08 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -48.83 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.5 68.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -30.64 63.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.13 -35.93 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.92 -32.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.31 -54.56 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -31.42 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.39 -34.6 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.82 -37.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -74.04 -32.65 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -73.91 -60.41 2.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 -167.95 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.0 -29.68 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.23 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.45 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.97 -32.5 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -36.82 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.55 -37.32 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.5 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.88 -30.12 24.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.014 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -46.35 15.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.53 -28.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.281 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.14 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -90.22 -32.98 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.085 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ptp -85.37 -26.68 26.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -57.6 -61.66 6.84 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.508 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 26.6 Cg_endo -62.39 -38.77 50.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.573 2.182 . . . . 0.0 112.539 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 p -70.56 -30.34 67.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.41 145.04 75.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.17 146.67 41.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 160.41 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.71 167.92 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.95 109.16 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.59 -27.67 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -76.17 -45.25 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -47.43 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -59.23 -30.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -39.37 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.71 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -44.13 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -27.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.5 p -88.53 -33.65 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.58 174.6 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -132.59 -46.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.13 -51.26 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -31.22 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.04 -27.85 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -90.45 -27.07 19.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.77 -59.67 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.98 28.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.78 -39.36 7.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -59.25 -29.05 67.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 mt -72.48 -34.04 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 4.5 m-85 -60.74 -49.77 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -72.89 -25.34 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.0 162.27 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.38 176.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.99 -31.27 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -101.02 33.36 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.75 140.39 21.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.17 -34.43 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.515 2.143 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -60.23 -27.54 67.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.65 -45.58 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.27 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.43 -31.64 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.13 -38.13 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.3 mt -77.92 -34.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -64.31 -31.39 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.39 -55.15 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -66.86 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -69.14 71.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.79 101.78 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.4 mt -102.76 -31.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' A' ' 92' ' ' GLU . 24.3 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -98.98 -42.08 7.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.0 tp -176.25 -64.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -59.98 -31.09 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -67.12 -48.01 69.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.03 -30.88 69.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.29 87.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.16 -30.65 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -62.92 -55.55 24.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -79.22 -22.36 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.95 73.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.81 24.99 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.07 -34.13 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.037 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.25 -30.94 16.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.01 -42.23 93.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -59.88 -34.61 73.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.36 -42.62 94.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -72.17 -35.79 69.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -131.08 103.7 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -63.53 -29.7 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.0 -29.09 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.54 -28.78 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.92 -34.28 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.2 p -82.53 -30.53 29.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -103.54 103.14 13.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -77.48 -31.61 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.7 -52.64 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.02 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.2 tp -76.84 -30.83 56.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -71.07 -40.67 71.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.21 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.76 -30.6 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.74 -37.33 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -75.84 -30.28 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -62.16 -30.22 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 30.1 mt -95.53 -30.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 m -59.22 -31.11 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -80.19 -31.12 38.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -31.52 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.68 -37.55 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 m -71.16 -29.66 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -58.79 -66.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -109.94 -176.43 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.31 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.99 -42.39 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -31.02 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -29.36 63.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.79 88.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -60.54 -35.86 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.83 -30.06 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.19 -31.17 21.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -79.0 -31.82 44.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.34 -45.96 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.83 -27.98 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.0 -19.67 40.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.319 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -91.17 -29.78 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.218 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptp -88.58 -29.18 20.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -56.99 -53.13 68.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 51.7 Cg_exo -52.95 -30.75 49.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.469 2.113 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -87.81 -33.96 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.95 149.34 97.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.86 177.41 5.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.51 2.14 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 124.4 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.5 p -82.93 117.88 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.97 128.1 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.28 -29.57 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.45 -31.55 69.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 -57.78 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.79 -30.71 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -60.98 -50.43 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -30.47 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -51.61 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 55' ' ' PHE . 21.5 mt -64.11 -36.92 85.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.95 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -97.43 -33.04 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.92 149.79 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -114.48 -37.44 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -67.33 -44.09 79.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.91 -39.57 55.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.37 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -82.83 -27.19 31.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 ttt -82.74 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.49 45.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.197 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.83 -26.67 6.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.424 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.6 p-80 -65.72 -29.46 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' A' ' 53' ' ' HIS . 10.8 mt -66.01 -50.6 68.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 107' ' ' ASN . 83.5 m-85 -60.28 -37.38 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.94 -31.39 66.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 ttp -66.87 169.64 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -63.48 176.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.82 -31.6 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.62 31.55 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.74 142.97 25.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.69 -26.79 27.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.509 2.139 . . . . 0.0 112.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -59.89 -34.35 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -56.09 -46.75 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.77 -30.31 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.05 -37.41 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.49 -42.59 78.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -71.27 -41.37 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.85 -26.65 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.68 -44.7 40.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -80.08 -40.22 28.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.3 p -70.06 93.53 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.06 -48.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt 69.66 -65.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 92' ' ' GLU . 86.8 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.1 p -83.69 -166.6 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.18 -30.4 58.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -85.22 -41.57 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -64.24 -32.95 74.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -74.5 -29.94 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 t -71.1 -30.25 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.41 -31.22 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 -30.74 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.96 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.05 20.82 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.337 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.0 -37.38 9.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -83.14 -31.01 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.92 -42.03 73.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -31.51 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.69 -46.23 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.28 -37.76 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -114.86 100.55 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -66.83 -29.35 69.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.82 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.63 -33.59 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.54 -30.02 68.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -84.62 -31.04 24.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -102.17 114.19 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -87.77 -33.01 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.72 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.37 -50.57 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.83 -35.34 77.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.42 -30.82 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.227 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.9 mt -71.69 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.15 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -30.85 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -60.63 -38.27 84.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 30.3 mt -92.27 -33.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -63.47 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -89.87 -30.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.73 -41.43 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -56.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -30.92 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -60.07 -61.4 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 179.46 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.11 98.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -55.43 25.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.06 84.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.0 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.07 -41.81 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -61.97 -33.04 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.1 -37.07 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.08 -34.75 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.35 -49.24 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.46 -42.55 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.9 -16.25 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -85.81 -42.31 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.5 -25.0 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -55.25 -57.17 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.577 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 35.8 Cg_endo -65.42 -29.67 53.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.421 2.081 . . . . 0.0 112.628 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.4 p -78.68 -29.51 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.09 150.11 51.68 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.32 173.94 10.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.585 2.19 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -177.14 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.39 170.7 15.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.85 131.07 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -83.98 -28.95 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -57.8 -30.55 65.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.19 -46.64 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.65 -28.59 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -48.09 79.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.88 -31.05 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.33 -44.25 75.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 mt -60.93 -39.23 88.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 p -95.62 -33.63 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.58 111.23 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -75.01 -37.4 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.26 -37.5 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.22 -28.03 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.53 -59.46 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.7 pt -134.33 36.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.291 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.35 -27.66 17.27 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.51 -28.55 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.6 -31.24 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -66.37 -39.72 89.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.34 -29.1 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 156.3 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -72.08 -178.24 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.48 39.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.87 107.37 57.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.3 -33.29 28.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.479 2.119 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -44.53 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.66 -34.81 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.6 -40.92 55.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 103' ' ' CYS . 21.7 mt -68.27 -47.01 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.33 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -70.18 -59.46 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -65.67 -33.58 76.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -90.9 79.74 5.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.85 -51.11 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.3 mt 69.68 -66.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.417 ' CE1' ' HG2' ' A' ' 92' ' ' GLU . 95.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 28.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 t -114.04 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp 69.51 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -50.87 -27.47 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 75' ' ' TYR . 21.1 mt-10 -80.43 -29.23 37.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.19 -34.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -48.36 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.13 -28.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.29 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.17 -56.87 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.42 -28.47 56.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.41 -50.14 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.274 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.87 -28.44 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.46 -57.98 10.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.239 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.71 -32.98 71.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.08 -46.41 77.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 m -60.33 -35.24 75.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.21 -51.77 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -62.91 -34.2 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -130.96 112.27 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -29.73 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.57 70.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.04 -29.24 67.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.55 -45.52 85.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.6 p -71.68 -32.21 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.68 115.0 23.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -93.99 -32.2 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -69.71 -49.43 53.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -35.2 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 tp -76.08 -38.26 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -66.53 -26.41 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.64 -53.2 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.05 -50.14 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.92 52.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -58.68 -29.4 66.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.48 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.015 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.17 -32.62 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -64.08 -29.4 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -76.01 -35.17 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -49.6 73.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.63 -44.23 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.6 m -64.33 -24.57 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.02 -62.9 1.36 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.332 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.33 177.85 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.64 -30.62 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.24 -44.55 16.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.38 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.61 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -39.49 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -31.02 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.8 -55.93 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -30.17 67.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.43 -37.57 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.05 -46.27 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.16 -29.88 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.1 -14.09 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.64 -28.03 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.6 ptp -88.31 -30.71 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.121 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . . . -60.23 -53.25 66.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' A' ' 26' ' ' ALA . 51.5 Cg_exo -54.15 -47.7 25.59 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.509 2.14 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -70.95 -33.35 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 132.88 94.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 -178.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.47 2.114 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -118.93 162.52 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -125.11 140.61 52.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.09 108.72 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.69 -30.89 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -60.18 -30.88 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.69 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.63 -29.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.2 -50.55 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -31.17 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.36 -44.07 59.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -29.6 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 p -90.35 -31.44 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.33 101.22 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -30.97 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -58.86 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.85 -38.65 91.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -84.24 -29.98 26.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -66.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 pt -130.15 45.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.68 -27.15 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.94 -29.22 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 0.0 110.984 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.5 mt -69.63 -30.65 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 19.4 m-85 -62.86 -42.39 99.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.87 -30.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 127.04 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.41 153.66 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -62.99 -26.52 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.99 51.81 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -135.24 99.02 12.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.75 -24.18 12.76 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.394 2.063 . . . . 0.0 112.449 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -68.82 -27.59 65.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -36.07 65.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.96 -30.17 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -78.5 -36.08 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.25 -47.64 41.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.09 -43.32 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.254 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -68.4 -41.31 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -59.23 -38.5 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -88.71 -31.56 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -64.51 94.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.59 128.29 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.2 mt -119.37 -37.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CE1' HG13 ' A' ' 95' ' ' VAL . 7.3 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.006 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 t -132.99 -53.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -168.32 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -30.74 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.42 -29.87 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -39.73 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -59.24 -31.15 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.408 HG13 ' CE1' ' A' ' 75' ' ' TYR . 25.9 t -64.44 -55.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -59.77 -43.02 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -54.75 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.0 79.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.66 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.73 -43.82 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.45 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.9 mt -74.98 -41.47 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.96 -31.55 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.24 -51.21 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -53.93 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -114.08 112.58 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -67.4 -27.82 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.91 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.218 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.21 -28.69 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.15 -30.44 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -80.42 -39.3 28.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -84.31 122.97 29.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.81 -31.22 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.83 -43.16 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -65.98 -44.69 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.47 -30.01 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.87 -29.54 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.28 -32.17 33.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.6 -48.06 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.2 68.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.8 -30.15 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.95 -35.0 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -61.02 -30.16 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -37.86 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.84 -43.71 67.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.1 m -96.37 -23.15 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -57.18 -46.76 82.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.113 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.119 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -82.66 -177.99 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.22 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.95 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.43 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.98 85.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -40.7 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.88 -48.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -34.5 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -48.33 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.47 -32.51 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -23.66 58.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.82 -48.73 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 ptp -69.51 -27.0 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.29 -61.31 6.85 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.593 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 19.2 Cg_endo -60.4 -42.65 39.59 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.555 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -29.42 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.61 133.83 94.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.751 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.85 -168.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.525 2.15 . . . . 0.0 112.397 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -131.39 157.97 42.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 163.27 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.6 131.07 35.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.0 -30.69 67.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.91 -38.31 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.71 -54.11 40.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.9 -29.51 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -59.01 -46.14 88.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.34 -30.84 71.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.64 -34.16 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.9 mt -81.17 -35.62 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -63.44 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 t -81.15 -32.3 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.24 162.37 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.98 -32.17 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -35.1 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -71.6 -40.29 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -23.55 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.68 -29.82 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.084 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.4 ttp -80.09 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 pt -124.05 37.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.69 -27.35 22.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.411 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.1 p-80 -76.2 -31.54 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 53' ' ' HIS . 7.5 mt -64.2 -37.45 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.0 -31.39 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -82.34 -32.92 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.7 166.42 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -169.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.05 31.44 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.27 30.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.87 141.69 23.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 -27.93 25.24 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -78.18 -28.25 48.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -57.57 -45.26 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.83 -31.92 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.02 -45.25 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.19 -41.03 94.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -71.39 -33.4 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -76.34 -43.39 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.05 -35.74 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -81.62 -31.09 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 87.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.59 118.34 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 117' ' ' PHE . 4.6 mt -112.07 -34.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' A' ' 92' ' ' GLU . 26.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 t -127.69 -51.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp -176.31 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.35 -50.71 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 75' ' ' TYR . 15.5 mp0 -60.23 -30.47 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mt -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.8 t -70.05 -45.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.2 -31.25 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.52 -34.56 18.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.74 78.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.37 24.03 6.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.277 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.55 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.91 -34.04 45.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.07 -31.02 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.05 -49.47 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -65.36 -50.42 65.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.37 106.62 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.64 -25.15 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.58 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.91 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.6 mt -57.55 -37.82 73.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.6 p -81.18 -31.84 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -93.84 104.18 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -85.63 -33.2 21.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -82.99 -35.59 25.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.7 tp -73.1 -47.49 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.418 ' CD1' HG21 ' A' ' 74' ' ' ILE . 25.7 t80 -60.19 -30.74 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.7 72.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.73 -40.18 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.27 -30.49 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.79 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -35.25 76.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 29.0 mt -79.68 -38.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.257 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.54 -30.61 69.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -76.7 -29.86 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.66 -43.55 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.1 -30.86 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.9 m -77.98 -28.03 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -57.11 -67.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -113.93 176.97 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.66 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.03 -31.86 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -49.14 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -60.47 -30.0 69.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.17 -30.32 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.6 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.23 -33.7 37.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.31 -45.82 37.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.49 -28.94 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.79 -19.53 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -84.03 -26.72 28.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 ptp -86.63 -25.65 24.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.68 60.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -51.29 -32.91 43.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.547 2.165 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -86.2 -31.02 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.43 147.9 75.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.45 153.77 60.74 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.529 2.153 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -68.26 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -84.02 -179.96 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.67 141.8 27.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.44 -30.92 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -42.98 65.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.85 -31.59 69.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.9 m -86.52 -28.99 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -58.15 -46.74 85.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.84 -25.58 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.87 -10.04 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.69 -65.81 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.754 0.311 . . . . 0.0 111.118 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -23.34 16.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.479 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.3 t -80.11 -32.08 39.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.347 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -97.08 175.87 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -122.06 -42.61 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -63.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.56 -40.45 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.95 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -93.49 -38.26 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 ttt -66.4 -66.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.16 38.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -90.76 -28.63 15.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -75.36 -27.62 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.9 mt -66.02 -38.78 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -65.04 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.32 -28.19 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.33 174.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -170.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -125.9 71.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.34 144.16 41.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.05 -39.76 84.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.63 -29.45 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -53.12 61.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -65.19 -30.7 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.69 -30.12 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -81.3 -45.46 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.9 mt -66.25 -44.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -59.62 -31.22 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.69 -37.34 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -78.41 -46.29 20.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -69.1 77.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.44 89.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.41 -39.23 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.35 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 t -136.15 -51.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -167.86 -66.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -31.85 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.21 -48.27 73.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.84 -38.68 91.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -62.78 -28.87 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.5 -30.92 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.243 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -62.67 -52.14 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -27.28 42.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.146 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.07 -29.88 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.38 -22.2 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.378 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.86 73.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -81.6 -31.42 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.73 -31.17 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.4 m -75.7 -30.92 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.63 -65.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -59.15 -30.62 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -120.08 105.26 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -29.88 62.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.45 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.17 -29.75 70.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.19 -31.21 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.82 -34.23 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -92.49 82.89 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -69.57 -31.32 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -46.97 78.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.96 -42.27 85.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.42 -47.41 56.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.98 -45.18 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.57 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.264 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -79.2 -30.0 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.01 -30.6 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 25.7 mt -77.92 -30.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.297 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.6 p -69.32 -29.76 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -80.39 -30.58 37.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.0 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -34.89 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.9 t -70.28 -48.29 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.8 p -57.69 -30.08 65.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -75.76 -50.83 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.9 -176.29 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.56 -30.68 63.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.97 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.69 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.17 -31.08 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.27 -31.25 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -75.04 -43.61 52.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.12 -31.63 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -30.67 64.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.07 -31.18 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.42 -41.02 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -58.7 -31.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.77 -20.59 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -27.53 23.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.2 ptp -87.94 -27.02 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.152 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -56.12 -53.06 67.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 48.9 Cg_exo -55.7 -42.67 65.18 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.45 2.1 . . . . 0.0 112.275 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -72.78 -31.44 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.52 156.04 25.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.26 169.93 17.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -102.17 137.77 40.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -122.55 133.41 54.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.83 120.91 26.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.85 -30.68 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.59 -46.02 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -58.46 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.94 -31.47 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -62.21 -31.58 72.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.43 -30.98 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.97 -38.74 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -66.58 -26.34 67.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -80.3 -32.69 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -100.27 164.99 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 -50.59 2.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -41.5 91.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.24 -34.57 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 -28.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.98 -67.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.9 pt -121.98 -3.3 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.68 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.86 -27.68 67.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -79.07 -29.34 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.78 -30.73 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.85 -40.25 94.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -30.63 69.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 148.55 32.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.33 168.34 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.76 -30.53 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 47.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -120.59 102.35 45.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.05 -26.78 10.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.516 2.144 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -73.79 -26.79 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -56.55 -50.63 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -31.63 71.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.65 -32.62 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.85 -42.31 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.01 -34.17 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -60.35 -50.3 74.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -70.47 -29.3 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.4 m -69.88 69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.58 114.71 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.4 mt -115.05 -37.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -143.44 -48.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 tp -177.56 -61.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -62.44 -41.74 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 mt -78.05 -34.51 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 m -68.62 -16.1 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.405 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.1 t -81.54 -48.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.739 0.305 . . . . 0.0 111.408 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -74.97 -30.52 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.233 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.68 -31.38 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.37 82.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.57 60.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.05 -58.45 7.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.73 -36.19 76.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.18 -47.09 87.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -37.42 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.94 -49.83 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -66.77 -31.64 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.93 104.88 6.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -29.3 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.73 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.71 -29.05 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.18 -30.37 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 45.8 p -85.14 -37.35 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.17 121.72 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -96.3 -48.08 5.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.46 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.21 -35.41 59.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.41 -53.49 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.94 -30.32 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.6 -51.51 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.29 -47.96 83.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.88 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.61 -30.67 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -62.51 -56.07 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.73 -30.1 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -31.56 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.84 -31.32 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.12 -30.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -33.53 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -68.68 -54.48 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.99 -179.39 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.67 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.14 -32.85 24.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.83 6.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.22 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -29.49 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.34 -50.07 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.64 -29.29 66.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.16 -31.01 43.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -47.33 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -58.9 -29.06 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.01 -21.38 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -85.78 -50.05 7.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -69.66 -23.46 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.77 -60.9 8.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -65.3 -32.77 50.37 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.623 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.767 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.51 159.15 77.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.51 152.62 70.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.559 2.172 . . . . 0.0 112.304 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 140.86 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -120.63 136.82 54.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.07 -32.55 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -64.71 -32.75 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.88 -40.94 83.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 m -82.47 -34.1 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -62.49 -46.31 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -30.8 70.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.51 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.82 -39.67 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -29.6 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -90.88 -33.62 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.81 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -137.21 -60.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -59.24 -42.23 90.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.31 -29.9 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.93 -27.84 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -27.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 ttt -84.19 -67.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.11 45.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -30.07 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -67.55 -30.48 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.77 -32.55 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -71.57 -35.25 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.93 -30.79 31.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -179.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -84.05 158.52 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -88.59 -31.11 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.4 56.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.07 146.08 59.27 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.94 -33.38 12.22 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.611 2.208 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -66.42 -26.93 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -56.3 22.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.01 -31.48 71.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.53 -49.03 75.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -63.78 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -62.68 -30.33 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -67.26 -54.66 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -69.89 -26.91 64.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 m -59.9 86.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.24 122.55 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.47 18.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.354 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' CD1' ' HG2' ' A' ' 92' ' ' GLU . 12.3 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.748 0.308 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -81.56 -169.84 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.58 -58.59 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -29.28 67.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 10.8 mt-10 -70.95 -46.37 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.15 -29.61 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -72.51 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.83 -36.71 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.48 -32.43 68.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.05 -28.7 12.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.99 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 17.39 13.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.14 -38.79 8.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -76.04 -34.22 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.87 -30.72 71.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.46 -31.33 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.31 -62.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -59.18 -49.71 76.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -111.12 106.4 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -70.23 -30.06 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.35 -26.86 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.87 -34.25 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.063 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -81.62 -31.44 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.35 93.15 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -77.41 -41.35 40.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.0 tp -66.26 -44.48 83.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -66.14 -30.64 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.16 -30.67 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.29 -41.29 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.46 94.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -62.19 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -30.0 71.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 28.0 mt -89.07 -28.28 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 t -57.68 -33.41 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -80.23 -30.12 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.05 -30.36 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.27 -45.34 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.3 m -57.96 -28.17 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.85 -66.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.798 0.332 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.29 169.78 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.99 93.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.47 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -36.84 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.72 -45.16 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.06 -33.65 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.19 -30.23 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.21 -29.39 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.6 -30.91 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.8 -44.25 23.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.3 -31.25 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -80.42 -25.66 38.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -32.94 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 ptp -87.18 -23.43 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -53.72 -53.22 59.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.28 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 59.6 Cg_exo -51.67 -45.97 34.77 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.577 2.184 . . . . 0.0 112.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -69.72 -32.56 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.72 148.1 94.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.43 160.61 4.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.496 2.131 . . . . 0.0 112.228 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.06 107.32 15.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -109.55 125.94 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.91 154.77 38.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.0 -28.67 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.87 -32.11 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.33 -58.02 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.6 m -59.26 -30.0 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -31.06 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.91 -29.67 23.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.58 -28.13 66.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.71 -33.53 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -29.09 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.4 t -89.15 -31.06 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -101.86 -174.33 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.97 -48.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -31.59 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.7 mt -77.12 -36.39 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.17 -29.22 57.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -84.45 -26.78 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 ttt -82.59 -65.96 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.417 HD13 ' CE2' ' A' ' 55' ' ' PHE . 22.6 pt -127.48 41.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.85 -28.35 26.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -74.53 -31.37 62.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.19 -31.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 51' ' ' ILE . 2.4 m-85 -60.06 -46.83 88.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.74 -24.4 44.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 156.29 3.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.78 175.38 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.62 -36.1 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.7 -27.37 66.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.98 119.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.46 -29.79 16.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -63.51 -24.15 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -43.73 73.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.65 -30.07 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.23 -37.13 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.68 -41.77 64.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.5 mt -64.94 -51.35 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.2 -34.17 73.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -67.7 -43.25 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -78.24 -19.65 53.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -95.88 39.34 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.771 0.32 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.02 71.77 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.3 mt -78.1 -40.58 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.921 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -157.28 -50.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.97 -72.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -64.71 -30.8 71.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.01 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.44 -29.99 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.9 mt -72.34 -37.48 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -61.96 -29.48 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.16 -42.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.299 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -59.87 -34.54 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -30.2 23.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.0 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.74 -29.46 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.22 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -47.43 58.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.253 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.57 -30.05 68.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.33 -32.08 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.23 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.38 -51.65 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -59.41 -31.67 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.71 109.88 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -27.6 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.7 69.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.254 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.24 -27.18 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.184 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mt -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.972 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -79.16 -31.01 43.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.798 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -84.65 123.13 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -57.19 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -29.44 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.13 -56.87 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 tp -58.43 -29.19 65.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -72.72 -26.85 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.0 -17.07 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.599 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.4 mt -89.35 -60.25 2.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.172 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.79 32.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.562 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -79.69 -27.15 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.278 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -64.42 -34.19 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.188 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.1 mt -82.19 -30.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -26.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -80.49 -30.45 37.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.85 -40.55 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.5 t -63.0 -28.65 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.288 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -39.4 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.66 -69.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.855 0.359 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -100.37 -173.23 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.86 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.67 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.44 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -31.18 72.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -66.41 -31.29 71.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t -74.98 -34.38 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.11 -30.9 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.81 -30.73 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -79.94 -48.07 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -56.11 -42.11 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.7 -17.74 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -91.65 -32.07 15.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -89.64 -28.54 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -57.31 -52.52 73.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 45.0 Cg_exo -56.5 -30.93 84.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.489 2.126 . . . . 0.0 112.216 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -85.11 -28.3 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.32 120.87 38.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.12 -178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -102.34 152.49 21.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.19 167.61 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.74 106.35 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.19 -28.99 70.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.47 -30.52 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.39 -28.77 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -61.48 -48.33 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.98 -29.42 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.7 -29.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.12 -44.82 75.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -28.14 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.4 p -88.63 -33.97 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -114.65 103.1 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -65.06 -52.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -34.18 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.84 -29.66 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -29.63 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.402 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 1.5 ttp -77.69 -69.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 pt -122.01 41.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.93 -38.52 2.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -64.81 -28.19 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.8 mt -68.95 -31.12 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.95 -57.06 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.5 -27.09 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.71 154.27 9.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.19 165.34 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -94.39 -30.29 14.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.79 50.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.47 141.9 42.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.81 -40.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.52 2.147 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.75 -28.8 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.1 -37.11 73.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.22 94.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.26 -46.26 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -72.68 -33.33 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -65.64 -30.97 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -74.3 -37.69 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 56.2 m-85 -86.0 -29.0 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.0 p -67.68 74.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.34 101.29 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 75' ' ' TYR . 12.9 mt -102.38 16.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.387 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.452 ' CE1' ' CG1' ' A' ' 95' ' ' VAL . 23.0 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.3 p -71.62 -170.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.9 -31.85 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -84.87 -40.62 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.404 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 68.9 mt-10 -62.45 -31.27 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -39.48 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 m -73.72 -35.21 65.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.452 ' CG1' ' CE1' ' A' ' 75' ' ' TYR . 26.2 t -59.63 -38.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.4 -60.12 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.31 -24.78 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.05 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.22 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.97 35.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.55 -41.78 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -81.58 -31.33 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.5 mt -59.73 -32.58 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.29 -33.21 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.62 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.76 71.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -126.08 101.65 6.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.43 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.36 71.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.06 -26.54 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.6 mt -55.16 -38.83 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.5 p -79.48 -31.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.57 102.69 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -87.68 -25.45 23.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -84.89 -32.94 22.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.105 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.32 -37.23 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.8 tp -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.031 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.38 -44.06 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.01 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.66 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.97 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.84 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.273 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -29.15 69.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -50.44 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.043 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.81 -30.71 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -56.46 -54.23 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.23 -29.74 68.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.58 -52.77 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.3 -36.24 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.2 m -76.76 -46.96 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.94 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 60.28 166.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 -64.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.56 123.82 5.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.609 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -176.15 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.75 -178.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.26 -121.06 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -110.3 152.17 26.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.93 -71.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 mt -85.53 169.81 13.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.07 169.14 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.89 71.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.24 -32.69 22.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.44 66.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.23 71.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -66.06 -30.19 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.96 -38.43 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.21 53.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.95 -30.85 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.17 -39.4 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.14 -30.24 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -20.92 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -28.1 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.1 ptp -86.9 -25.85 24.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.212 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.82 -53.74 59.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.283 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -50.92 -51.28 11.52 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.541 2.16 . . . . 0.0 112.329 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -70.63 -31.02 67.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.92 139.73 85.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.39 167.41 26.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -110.27 141.15 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.07 106.0 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.13 -31.19 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -71.58 -32.94 68.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -71.01 -55.02 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 m -59.41 -27.18 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -56.66 -56.86 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -30.7 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.08 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.32 -51.72 41.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -26.25 64.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -82.09 -33.49 29.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.01 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -101.77 175.25 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -129.07 -49.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.86 -39.45 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -76.47 -30.95 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.06 -37.29 69.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -31.27 26.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ttt -66.72 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 pt -134.9 34.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.8 -42.89 7.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.414 ' CD2' HG13 ' A' ' 54' ' ' ILE . 19.9 p-80 -59.06 -27.85 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG13 ' CD2' ' A' ' 53' ' ' HIS . 24.3 mt -69.51 -33.93 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -69.61 -42.1 74.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -32.07 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 177.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -176.17 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.15 -40.87 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 57.79 4.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.09 117.42 17.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.62 -27.78 26.97 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.412 2.075 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.13 -30.94 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.84 -55.33 35.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.14 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.74 -30.32 64.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.72 -35.04 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.1 mt -78.36 -44.64 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -59.9 -32.29 70.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -79.11 -42.52 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -73.04 -31.24 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -71.0 77.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.83 120.64 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -111.65 -32.25 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -119.33 -64.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.06 172.01 3.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 -172.16 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -130.99 31.33 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -163.86 124.7 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.99 113.03 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -134.03 156.95 47.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 59.93 -174.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -99.74 31.49 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -93.73 176.63 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.68 38.36 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.547 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 87.11 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -154.97 -46.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.0 mt -117.76 133.47 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 t -123.92 -44.39 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.9 tp -176.11 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -69.47 -48.41 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -60.74 -31.46 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.6 mt -63.46 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.9 m -80.6 -39.37 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.02 -31.01 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -57.62 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.71 -30.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.6 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.68 -32.3 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.27 -31.51 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 mt -73.28 -38.49 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.0 m -59.89 -31.11 69.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.43 -64.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -63.97 -32.49 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -118.69 89.8 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.87 -25.22 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.14 66.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.2 -24.94 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -56.7 -34.33 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.2 p -82.33 -39.28 23.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -78.41 101.86 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -45.38 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -48.18 81.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.03 -51.35 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -67.98 -29.52 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.68 -30.48 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.12 -48.28 53.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.19 -42.12 90.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.3 mtp85 -61.96 -30.93 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.014 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -62.11 -46.25 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.3 mt -78.76 -32.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.9 t -59.96 -39.09 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -79.41 -30.96 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.53 -52.31 65.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -27.18 68.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -56.98 -62.52 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 166.65 10.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.5 121.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.3 m 60.19 171.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -100.58 138.66 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -87.19 -67.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 70.2 p -113.69 -177.66 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -168.34 107.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.02 31.21 20.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 124.39 -161.76 18.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.5 -173.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.646 2.231 . . . . 0.0 112.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 94.01 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.3 t -98.21 123.12 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.44 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -116.52 -40.84 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.61 152.86 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.46 -64.95 0.36 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.93 31.74 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.85 139.94 47.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -49.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.18 156.73 37.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.55 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -65.09 175.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -172.48 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.51 -35.74 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.17 22.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.08 -50.48 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.52 91.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.94 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.2 t -70.55 -46.33 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.74 -31.88 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -44.57 16.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.3 -30.34 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.3 -19.7 31.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -27.82 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.016 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.6 ptp -88.28 -27.58 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.166 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.1 -52.9 70.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.247 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.64 -43.91 51.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.533 2.155 . . . . 0.0 112.323 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -80.37 -26.99 38.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.7 mt -56.21 123.96 57.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.85 175.94 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 163.27 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -124.47 133.13 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -95.68 102.45 14.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.9 -29.45 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.22 -30.31 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.09 -32.83 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -86.42 -24.42 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -57.74 -58.11 9.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.49 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.24 -30.21 70.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.8 mt -79.36 -38.1 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -28.19 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -83.48 -33.07 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -85.57 175.96 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -46.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -53.14 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.84 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.72 -26.69 57.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -28.82 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -80.45 -66.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.1 36.86 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.242 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.32 -41.93 3.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.415 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -60.81 -28.97 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.7 mt -65.44 -33.55 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.404 ' CD2' HD11 ' A' ' 41' ' ' LEU . 13.9 m-85 -65.44 -53.39 43.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -28.43 69.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.78 172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.64 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.49 -31.67 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -125.66 65.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.68 146.86 33.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.99 -32.49 17.52 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -75.27 -26.68 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -36.31 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.62 -30.55 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -84.23 -32.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.83 -34.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.8 mt -80.71 -45.64 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -59.13 -29.83 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.38 -47.41 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.009 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -81.82 -27.19 33.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -56.96 90.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.9 126.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.3 mt -110.48 -33.95 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.18 135.23 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.15 -177.79 31.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.68 -169.55 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -103.21 -31.49 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -82.7 119.55 24.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.0 m -64.54 106.05 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -136.19 -179.46 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 60.6 179.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -60.36 112.29 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 64.28 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 45.97 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 79.08 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -99.49 -38.39 8.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 32.0 mt -63.89 -178.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 t -152.85 -53.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.4 tp -176.14 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -68.17 -50.32 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.26 -31.46 69.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.4 -48.25 82.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -46.54 89.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.03 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 19.7 t -55.97 -28.58 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.53 -61.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.239 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.48 -28.47 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.237 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.24 84.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.29 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.17 -39.87 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.02 -30.77 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.03 -50.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -42.19 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -124.68 113.72 18.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.011 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -30.09 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.77 -30.1 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.63 -29.98 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.16 -32.09 67.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -38.21 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.57 89.37 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -44.1 69.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.15 -31.65 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.3 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 37.4 tp -67.34 -32.37 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -70.54 -44.23 67.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.4 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.8 mt -76.55 -51.42 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -35.72 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -73.0 -31.36 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -41.25 92.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.56 -34.59 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -59.84 -50.95 71.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -63.14 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.99 -44.02 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.68 -33.4 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -31.78 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.21 -54.52 43.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.07 127.24 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -152.0 40.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -133.94 151.83 51.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -121.31 -177.92 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -92.24 49.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.0 t -157.92 162.92 38.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.9 t -58.29 150.16 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 m -74.0 104.33 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.63 62.01 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 170.16 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.535 2.157 . . . . 0.0 112.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.3 t -176.38 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.7 m 60.65 106.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.445 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -173.29 163.76 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 60.37 178.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.32 -140.45 2.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.43 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -76.8 -31.69 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.79 -171.67 42.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -92.54 149.66 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 -175.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -83.21 178.75 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.45 -169.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.34 -43.19 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.78 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -50.83 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.31 -52.08 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 t -60.01 -31.24 69.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.97 -30.37 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.67 -25.98 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.43 -48.82 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.062 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -47.09 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -55.12 -28.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.273 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -87.13 -21.91 25.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -25.44 20.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ptp -88.12 -28.28 21.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -58.29 -53.21 68.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 73.0 Cg_exo -49.42 -42.43 41.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.681 2.254 . . . . 0.0 112.482 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 t -81.35 -31.15 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.23 138.06 56.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 176.54 9.91 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.36 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -130.28 166.82 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.08 161.01 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.65 159.87 19.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.37 -30.93 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -60.59 -31.77 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.7 m -58.81 -29.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.251 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -58.93 -58.01 10.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.27 -31.0 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.8 mt -64.24 -30.04 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 HD11 ' CD2' ' A' ' 55' ' ' PHE . 95.9 mt -72.86 -41.04 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 t -88.15 -31.81 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.57 169.62 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -138.97 -47.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -58.73 -31.43 68.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -92.68 -31.6 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -91.96 -25.08 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -59.75 2.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 pt -128.75 31.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.379 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.64 -36.1 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.405 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -65.36 -27.75 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -70.25 -37.63 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.8 m-85 -64.11 -48.51 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttp -62.12 160.24 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.98 -177.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.6 -36.17 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.2 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -108.73 120.9 44.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.99 -28.73 41.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.467 2.111 . . . . 0.0 112.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.31 -54.1 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -29.24 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.18 -27.87 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -87.85 -46.83 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.2 mt -61.93 -38.12 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.44 -30.73 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -70.64 -39.82 73.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -84.1 -32.17 24.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.8 m -73.07 91.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.5 98.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.8 mt -79.5 -39.85 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' CE1' ' CG1' ' A' ' 95' ' ' VAL . 14.4 m-85 -99.93 37.7 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.0 174.02 46.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -123.7 -67.23 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -166.24 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.08 173.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 t -59.27 154.52 16.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -98.49 35.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -129.13 29.84 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -176.89 169.82 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -176.59 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.1 43.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.19 142.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -114.51 112.46 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.1 mt -71.32 172.87 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 t -126.92 -51.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -176.41 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -59.41 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.74 -29.17 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 -35.34 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.0 m -66.59 -30.94 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 ' CG1' ' CE1' ' A' ' 75' ' ' TYR . 27.7 t -64.88 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -83.71 -52.21 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -30.63 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.94 70.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.69 -28.79 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.314 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.77 -35.17 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.243 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.69 -35.26 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.1 -31.19 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.78 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.55 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -59.79 -31.76 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -129.29 94.4 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.413 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -63.11 -30.1 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.56 -29.85 66.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.69 -25.0 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.68 -35.77 66.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.9 p -77.93 -40.25 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -75.97 101.69 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -82.17 -42.13 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.94 -41.5 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -49.35 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.3 tp -66.16 -30.15 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -69.5 -30.4 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.27 -44.25 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.71 -38.19 80.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.35 57.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -60.31 -28.11 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.85 -57.51 12.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.3 mt -70.2 -31.52 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -29.84 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -38.11 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -37.18 86.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.4 t -67.39 -46.09 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -65.34 -37.38 86.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -59.82 -56.95 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.42 86.27 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -120.63 167.07 12.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.63 153.93 26.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -139.41 133.12 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.91 158.11 31.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 60.6 p -107.41 166.55 10.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.4 p -89.76 148.81 23.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.8 m -121.24 127.17 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.78 77.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 169.0 20.16 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.548 2.166 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.3 m -66.99 177.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.7 p -131.03 117.07 18.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.493 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.36 164.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.358 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -80.93 168.6 18.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.25 15.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -131.35 178.9 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -108.93 111.89 23.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.92 -164.72 7.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -60.46 107.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.69 172.38 18.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.9 mt -72.61 -176.82 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -101.31 177.23 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.51 90.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.54 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.14 90.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.49 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.81 -40.0 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -38.58 83.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.49 -41.79 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -30.95 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.63 -44.77 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 t -60.44 -46.35 90.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.61 -29.98 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -80.71 -24.56 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -83.35 -30.09 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.031 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.6 ptp -87.06 -23.41 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.74 -53.24 62.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.312 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.3 -46.8 29.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.8 p -73.34 -32.71 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.51 124.01 89.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.81 158.54 8.36 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.337 2.025 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 155.76 18.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 157.33 34.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.03 131.56 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.2 -31.7 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.47 -31.25 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.83 -42.52 85.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.19 -28.83 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -57.97 -50.84 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.17 -30.05 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.46 -36.3 76.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 45.2 mt -65.56 -38.07 88.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -27.81 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.5 p -94.14 -33.58 13.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -80.59 176.03 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -136.34 -55.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.17 -47.24 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.9 mt -70.25 -34.77 73.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.26 -28.04 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttt -80.96 -67.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.086 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 pt -122.9 37.54 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.24 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.12 -34.5 6.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -72.5 -28.75 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.83 -34.75 69.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -61.98 -31.55 71.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.02 -32.02 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttp -68.75 164.22 22.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -78.56 169.38 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.78 32.1 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.83 33.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.67 137.59 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.92 -27.77 55.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.464 2.109 . . . . 0.0 112.347 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.65 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.59 -30.77 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -85.62 -30.32 23.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.11 -47.8 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.7 mt -62.92 -44.29 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -65.04 -29.68 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -72.6 -33.4 66.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 43.9 m-85 -92.72 -31.26 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -75.88 78.42 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.41 91.12 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.26 -34.9 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.417 ' CE2' ' HG2' ' A' ' 92' ' ' GLU . 70.1 m-85 -101.96 144.89 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.6 -115.0 6.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -167.36 -179.39 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.414 ' CD2' ' HD3' ' A' ' 70' ' ' LYS . 25.9 p90 -108.11 31.25 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 110.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.62 69.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -116.03 -37.43 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 141.39 48.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 95.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.79 104.93 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.6 23.68 2.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.593 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.26 164.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.42 ' CD2' ' HG ' ' A' ' 88' ' ' LEU . 13.1 p-80 -165.33 -48.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 87' ' ' HIS . 31.2 mt -67.08 175.73 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.0 t -145.34 -48.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tt -176.04 -54.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -51.9 63.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 23.5 mt-10 -60.2 -30.89 69.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.02 -30.81 71.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.02 -39.1 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.013 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.55 -27.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.25 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.52 -30.36 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.045 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -91.93 -29.22 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.53 -60.47 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.17 -28.17 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.247 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.16 -35.15 71.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.69 -34.53 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.38 -32.34 73.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.88 -31.02 66.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.22 -46.39 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -63.76 -48.22 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -124.51 102.84 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.79 -28.82 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.162 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.67 -27.82 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.8 mt -57.22 -29.98 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.992 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 p -82.72 -48.06 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -77.43 89.4 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -75.32 -41.36 57.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.2 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -82.76 -44.53 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.49 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.81 -30.7 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.97 -30.56 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.9 mt -77.12 -37.84 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.74 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.87 -58.48 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 33.1 mt -69.31 -27.37 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -57.79 -31.94 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -86.38 -31.48 21.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -30.62 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 28.2 t -80.82 -52.15 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.7 m -59.7 -33.91 72.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.11 -42.52 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 107.45 15.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.25 135.58 46.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.4 p -67.99 114.03 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.403 ' O ' ' CD1' ' A' ' 133' ' ' TYR . 27.3 p90 -92.93 116.52 29.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -103.17 134.42 46.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.95 147.03 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.94 166.69 13.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 p -102.65 161.86 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -134.93 158.22 23.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.0 -35.42 11.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.623 2.215 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.9 m -148.68 160.07 43.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.8 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.2 p -167.17 33.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.539 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -80.31 156.6 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.733 0.301 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.54 97.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.63 172.86 33.54 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.573 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.52 176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -128.45 161.42 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.28 44.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.6 -175.23 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -104.9 138.34 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.7 mt 60.8 165.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.04 175.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 -43.52 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.15 -30.7 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.39 70.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.48 -36.99 77.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -30.92 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.56 -30.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.53 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -82.75 -39.67 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.39 -47.66 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -55.88 -31.81 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.19 -24.09 37.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -29.73 19.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.027 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.1 ptp -88.23 -26.63 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.138 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -57.39 -53.22 67.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.13 -31.84 46.91 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.57 2.18 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -86.29 -31.37 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.16 140.97 90.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.23 -170.47 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.504 2.136 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.53 134.14 55.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -93.99 178.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -103.89 130.4 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.8 mt -90.8 -30.86 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -56.52 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -59.27 -29.51 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -59.14 -53.64 56.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -30.84 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -25.35 64.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.2 mt -85.48 -43.21 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -29.13 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.3 t -88.82 -31.67 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -98.82 118.01 34.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -75.74 -32.23 59.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -72.36 -48.82 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.29 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -87.93 -29.76 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ttt -79.07 -67.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 pt -123.29 43.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.179 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.35 -29.31 5.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -70.58 -28.68 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.21 -30.96 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -71.63 -31.48 66.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.0 -46.29 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 ttt -60.49 161.52 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -76.47 -175.95 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -109.39 -29.91 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -30.54 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.77 129.57 94.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.07 -25.3 19.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.519 2.146 . . . . 0.0 112.403 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -56.15 -23.26 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.8 -31.1 58.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.65 -31.0 68.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.55 -42.05 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.2 mt -73.86 -29.3 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -61.8 -28.89 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.56 -43.38 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -76.57 -32.18 57.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.4 p -60.59 89.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -118.79 -41.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 92' ' ' GLU . 46.0 m-85 -96.18 94.86 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.24 164.66 29.76 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 156.78 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -103.03 40.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.27 146.18 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -82.81 129.22 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.51 164.65 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 175.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -63.57 -55.07 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.43 163.17 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.57 -43.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.619 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.82 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 61.22 -173.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 8.1 mt 58.71 -178.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 t -139.24 -51.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -176.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.9 -39.76 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' HG3' ' CD2' ' A' ' 75' ' ' TYR . 2.1 mp0 -60.37 -30.79 69.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.49 -31.25 42.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.83 -31.19 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.26 -39.86 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -62.11 -30.37 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -29.52 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.45 -29.83 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.207 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.61 -21.27 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.372 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.04 56.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -93.46 -31.11 14.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.975 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -67.2 -40.63 86.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.34 -30.14 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -59.13 -64.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.265 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -57.36 -54.7 43.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.65 101.31 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.2 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -58.34 -28.22 64.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.29 -32.78 66.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.8 p -90.41 -31.74 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.22 111.23 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -89.77 -41.64 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -54.8 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -59.5 -52.56 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.2 tp -57.87 -29.19 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.1 -30.14 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.68 -41.52 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 75.9 mt -68.0 -45.32 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.26 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -29.02 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.66 -32.56 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 31.5 mt -84.69 -32.07 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 t -63.46 -48.64 76.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -30.58 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.66 -53.28 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.23 -43.64 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.7 m -59.77 -39.38 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.09 -57.72 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -108.45 105.31 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -169.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 p -76.68 143.45 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -108.15 154.33 21.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.88 148.82 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.1 p -105.91 115.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 5.0 t -148.96 109.23 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 m -147.12 31.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -148.11 147.05 17.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.14 -31.15 9.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.9 p -78.84 -75.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.04 176.82 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.509 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t 60.33 99.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -134.87 42.85 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.92 163.77 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -91.8 161.58 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -117.98 33.72 5.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.88 179.34 24.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -136.38 122.72 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.7 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.02 173.08 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.99 -179.73 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -30.51 55.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.65 -31.21 18.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.12 -44.64 68.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.55 -28.7 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.238 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -44.73 64.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -59.14 -38.85 80.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.995 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.65 -29.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.89 23.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.235 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -76.74 -40.09 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.33 -48.27 57.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.53 -28.87 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.73 -19.83 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.272 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -27.5 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -88.22 -30.64 19.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.85 71.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.223 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -55.81 -34.84 92.44 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.302 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.3 p -81.64 -34.47 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 mt -69.59 140.34 89.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.86 167.06 27.91 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.362 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -95.03 156.39 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -106.35 173.15 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -79.31 102.82 8.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.27 -54.41 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.22 -30.57 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -64.46 -48.34 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.2 -29.9 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -31.42 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.17 -40.22 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.63 -28.29 69.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.013 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.7 t -88.76 -34.67 17.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.75 172.15 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -42.99 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -59.46 -57.12 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.93 -31.27 70.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.94 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -88.92 -29.53 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -67.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.13 40.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.17 -36.33 4.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -66.81 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.307 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.21 -32.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.2 m-85 -67.5 -53.29 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.22 -25.71 66.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.26 151.39 9.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 154.93 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -88.67 -29.15 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.17 38.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.36 135.56 23.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.88 -28.68 16.24 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.501 2.134 . . . . 0.0 112.272 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -62.85 -26.84 68.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -56.48 -49.55 74.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -58.9 -43.43 90.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -31.25 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.98 -42.15 40.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 mt -66.29 -40.49 86.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -70.14 -31.35 68.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -58.85 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.53 -28.44 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -60.36 86.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.38 126.73 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.1 mt -133.37 18.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CD2' ' HG2' ' A' ' 92' ' ' GLU . 15.4 m-85 -143.42 -49.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.61 -127.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.18 -163.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -89.94 -29.43 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -79.88 116.44 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -111.77 -177.27 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.33 163.6 15.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 60.73 167.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.7 104.53 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.32 -70.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.67 46.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.51 -173.01 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 63.72 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.3 mt -127.81 122.97 34.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.806 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -109.59 -43.4 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -173.18 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -59.48 -40.33 86.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.42 ' HG2' ' CD2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -68.91 -30.84 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.85 -34.02 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 m -78.14 -31.73 49.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.1 t -67.92 -48.34 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -35.85 82.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.04 -41.86 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.57 -31.04 69.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -77.04 -35.74 56.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.77 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.19 -38.08 82.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 21.9 mt -71.96 -34.18 68.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.33 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.98 -49.89 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -136.35 111.03 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.423 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -66.3 -30.72 71.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.39 -29.91 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.7 mt -62.08 -28.86 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.5 mt -57.78 -35.83 71.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.6 p -77.77 -31.14 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.76 125.2 27.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.33 -33.03 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.67 -37.5 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -41.93 98.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.6 tp -76.43 -30.71 57.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.035 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.16 -30.39 70.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.66 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.72 -49.63 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.33 -28.54 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.16 -48.47 80.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 7.2 mt -72.59 -30.08 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -57.23 -32.16 66.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -88.66 -40.1 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 22.8 t -80.33 -50.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -59.71 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -76.04 88.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.48 30.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 p -75.3 110.72 9.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -90.56 141.55 28.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -114.57 153.08 30.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.5 83.93 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.84 99.15 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.1 t 60.89 166.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.97 61.45 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.562 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.21 103.62 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.57 2.18 . . . . 0.0 112.381 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 t -133.59 -50.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.8 p -93.69 -176.02 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.472 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -141.3 31.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -147.5 104.52 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.93 121.55 3.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -106.71 72.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.12 172.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.75 -167.6 12.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.55 119.67 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.49 -179.06 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.4 165.33 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.35 175.15 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.64 -31.32 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.29 9.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.91 74.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.58 -35.0 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.03 -34.2 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.47 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -83.31 -30.94 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.25 -45.45 55.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.21 -29.65 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.79 -23.83 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -84.84 -43.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.319 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 ptp -77.83 -22.36 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.4 -61.43 6.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.515 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 36.0 Cg_endo -65.33 -32.39 50.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.664 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.8 p -75.49 -33.04 60.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.84 152.09 95.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 -169.16 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -178.37 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.61 166.95 22.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.32 133.95 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.88 -31.64 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.98 -31.36 72.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -47.37 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.24 -26.69 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.6 -39.43 73.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.51 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -31.27 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.14 -31.66 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -68.31 -28.27 67.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.5 p -82.46 -32.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -105.14 178.68 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -44.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.17 -41.12 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.2 -32.56 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.01 -24.05 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.268 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -92.89 -28.19 16.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -82.26 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.7 pt -119.9 34.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.77 -41.93 3.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -65.81 -29.84 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 26.6 mt -66.81 -30.94 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.53 -36.91 85.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.49 -31.4 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 169.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -100.83 152.04 20.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.36 -28.13 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.79 57.24 4.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.92 139.14 14.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.23 -28.47 15.39 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.62 2.214 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -74.99 -29.68 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -45.09 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -29.4 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.88 -42.21 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.6 mt -64.85 -45.66 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -58.79 -28.15 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -69.14 -33.86 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -94.49 -40.69 9.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 p -59.01 97.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.69 104.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.4 mt -80.52 -50.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.71 88.87 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.83 -158.27 22.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -107.96 -67.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -177.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.64 109.82 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -135.0 149.61 50.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -100.88 96.76 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -155.35 -177.61 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.28 161.82 17.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.2 152.82 33.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.43 -33.17 2.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -69.0 -66.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.65 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.37 94.38 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 t -96.67 -40.53 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -176.69 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.17 -46.98 87.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.21 -31.67 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.51 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.1 m -70.93 -42.0 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.55 -36.87 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.88 -59.63 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.64 -59.4 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.41 92.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -75.85 -33.11 60.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.55 -39.58 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.85 -30.5 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.3 t -59.82 -58.25 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -60.12 -46.66 88.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -108.31 104.41 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.47 -26.26 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.2 -31.9 73.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.4 mt -59.98 -30.21 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.9 mt -59.92 -33.17 71.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.0 p -85.56 -38.52 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -97.96 101.1 12.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -79.16 -28.91 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -53.88 53.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -34.83 78.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.93 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.17 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.63 -56.76 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.69 -40.41 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.34 87.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.285 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -29.58 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.75 -31.23 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.063 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.4 mt -88.53 -30.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -30.31 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.997 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -31.09 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.56 -46.85 77.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.82 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -31.06 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -72.43 -62.21 1.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.76 128.27 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.91 30.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.6 t -153.51 155.78 36.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.416 ' CE2' ' HB2' ' A' ' 134' ' ' ARG . 46.6 p90 -73.75 -39.69 64.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -135.15 149.94 50.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.6 m -113.14 -37.23 4.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.5 p -75.7 94.62 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -139.66 84.9 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 116.47 92.75 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.06 139.48 46.9 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.557 2.172 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.7 t -123.98 -46.91 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 p -76.16 71.51 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.545 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -141.84 105.14 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 89.51 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.96 -125.1 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -105.63 -178.58 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -96.78 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.85 124.76 4.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.15 158.27 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.807 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -111.14 -60.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.1 mt -64.9 177.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.7 -175.11 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.62 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.92 -49.93 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.75 -48.27 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.71 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mt -69.71 -40.39 76.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -49.3 78.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.44 -41.22 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.8 72.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.67 -31.23 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -46.69 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -56.35 -29.75 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.34 -18.45 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -46.22 8.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.1 ptp -70.62 -27.29 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.26 -61.56 6.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.517 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 18.0 Cg_endo -59.77 -42.04 49.53 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.48 2.12 . . . . 0.0 112.445 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -67.94 -29.8 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.15 156.28 88.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.55 -177.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.574 2.183 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 125.03 53.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 m -100.47 134.58 43.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 128.86 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.66 -31.45 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.14 -31.41 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.12 -49.86 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -70.36 -30.33 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.07 -47.49 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.35 -33.94 73.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -36.53 77.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 mt -73.07 -30.32 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -30.6 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.6 p -86.87 -31.81 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -91.61 152.94 20.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.01 -31.57 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -79.75 -45.36 19.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -32.62 73.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.96 -29.26 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -86.41 -28.05 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -65.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 pt -129.92 36.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.316 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.63 -45.36 3.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -60.64 -29.32 69.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.5 -40.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.41 -50.86 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.61 175.9 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.22 -170.93 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.7 -31.16 8.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 30.95 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.52 131.08 44.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.02 -46.91 30.1 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.381 2.054 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -59.27 -25.59 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -55.8 -37.94 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -71.99 -45.41 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.66 -41.15 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.58 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mt -64.26 -40.98 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -60.3 -31.17 70.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -66.47 -55.66 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -72.22 -41.25 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.3 m -65.8 82.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.13 78.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.4 mt -72.11 -30.1 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -119.32 105.55 11.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.11 -162.01 14.3 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.21 -165.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -103.98 -32.88 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 117.82 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.8 m -140.26 77.16 1.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -115.77 -37.2 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -132.66 -60.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.11 -176.31 3.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -132.44 -52.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.73 -32.78 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.77 30.94 18.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.64 -37.83 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.7 mt -62.69 161.71 11.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -136.79 -46.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -170.04 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.984 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.89 -51.36 70.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.65 -31.06 71.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.37 -40.41 70.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -50.54 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 23.0 t -59.33 -28.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.41 -38.04 85.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.93 -31.75 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.71 -29.7 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.55 -30.55 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.9 -43.9 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -70.32 -30.9 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.55 -33.13 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.68 -31.14 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.2 t -68.7 -54.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -60.0 -39.58 86.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -125.33 115.24 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.98 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.6 mt -60.9 -28.47 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.99 -35.01 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 p -83.56 -31.05 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -79.16 98.87 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -33.21 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.88 -30.49 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.01 -44.68 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.26 -35.17 74.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.67 -30.05 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.5 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.95 -34.08 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.31 77.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.113 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -33.77 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.86 -44.57 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 23.4 mt -73.88 -32.75 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.43 -59.19 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -59.01 -29.63 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.32 -51.83 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 39.8 p -58.04 -35.91 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -79.81 -69.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -75.62 91.19 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 -68.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.08 133.82 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -127.14 134.99 50.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.38 136.72 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.7 p -70.55 -179.89 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.0 m 59.87 93.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.2 m -138.59 -174.09 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 134.84 -97.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.77 157.58 47.77 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.505 2.136 . . . . 0.0 112.236 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 p -158.38 110.26 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 p -162.33 174.71 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.559 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -154.65 99.95 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m 60.4 92.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.62 -118.47 5.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.53 129.64 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -88.15 -178.92 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.01 -104.75 2.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.73 -178.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.82 160.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.1 mt -71.81 -179.38 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.39 166.81 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -30.79 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.25 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.66 83.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.69 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -31.11 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.43 -45.41 54.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.16 -31.04 43.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.23 58.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.22 -31.3 16.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.3 m -73.74 -38.61 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.34 -30.11 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -92.44 -15.8 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -29.24 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptp -88.9 -26.25 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.3 -53.08 65.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.381 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.72 -42.91 54.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 0.0 112.298 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -73.63 -31.84 63.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.1 mt -74.32 152.82 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 140.56 40.75 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.531 2.154 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.2 p -119.34 148.24 43.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.91 155.16 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.08 -30.52 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.43 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.44 -39.52 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -83.18 -26.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -56.79 -51.25 69.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -31.42 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.0 mt -65.9 -31.59 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 HD12 ' CD2' ' A' ' 55' ' ' PHE . 54.4 mt -83.07 -29.48 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -24.41 58.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.5 t -80.36 -35.07 35.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -111.87 136.78 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.1 -30.98 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -74.35 -40.21 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.46 -49.8 61.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.33 75.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.66 -19.72 65.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -66.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.242 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 pt -124.36 45.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.05 -26.57 10.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -71.59 -30.1 65.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.3 mt -67.32 -34.91 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CD2' HD12 ' A' ' 41' ' ' LEU . 34.5 m-85 -63.85 -31.13 72.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.44 -31.45 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.92 144.1 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -76.55 157.78 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.91 -31.39 66.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.69 -30.91 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.99 109.79 2.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -26.8 32.24 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.71 -30.24 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -43.36 93.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.52 -31.0 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -81.81 -35.86 29.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.98 -42.79 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.1 mt -71.74 -49.88 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -59.88 -31.26 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HE2' ' CZ ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -63.55 -44.26 94.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -80.52 -31.62 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -69.56 87.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.33 99.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.73 -32.03 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' CD1' HG12 ' A' ' 95' ' ' VAL . 15.1 m-85 -96.77 41.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.87 -153.72 16.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -169.46 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD2' ' HB2' ' A' ' 79' ' ' ASP . 31.9 p90 -115.2 -42.27 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.418 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -146.05 89.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.0 t -138.8 76.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.27 101.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -120.58 161.73 20.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 29.91 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -177.37 37.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.41 28.64 3.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.34 74.3 2.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 -31.52 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 mt -60.69 176.18 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.1 t -131.87 -50.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 tp -177.35 -59.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -57.94 -29.56 65.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -74.25 -38.83 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.86 -30.49 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.7 m -63.85 -40.83 97.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.03 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 75' ' ' TYR . 21.1 t -58.29 -45.54 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -59.93 -50.66 72.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.38 -45.46 79.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.21 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.98 -29.12 66.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.279 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.72 -58.91 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.212 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.63 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -64.78 -55.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.234 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -59.44 -31.3 69.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -133.99 109.26 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -30.51 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.3 -27.95 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.97 -28.59 69.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.84 -34.06 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 p -82.54 -34.41 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -89.98 113.12 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.62 -35.3 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.89 60.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.91 -43.6 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.36 -33.95 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -61.51 -30.51 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.13 -42.59 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.88 -46.36 89.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.58 79.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -63.41 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -55.47 34.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.2 mt -72.04 -26.1 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.29 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.6 m -56.11 -30.19 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -85.29 -32.01 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -36.4 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.412 HG12 ' CZ ' ' A' ' 131' ' ' TYR . 21.6 t -71.15 -38.38 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.2 m -80.52 -33.98 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.407 ' CD2' ' HG3' ' A' ' 130' ' ' LYS . 32.8 t80 -60.54 -52.59 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.407 ' HG3' ' CD2' ' A' ' 129' ' ' TYR . 57.6 mttt -125.51 161.56 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . 0.412 ' CZ ' HG12 ' A' ' 127' ' ' VAL . 1.7 m-85 -152.99 -51.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.9 t -176.56 157.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -113.79 87.77 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -140.68 -55.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.5 m -111.12 -31.93 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.4 p 49.74 91.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.8 p -152.54 78.11 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -89.28 -65.71 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 -54.01 5.94 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.62 2.213 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.8 t -90.07 157.24 17.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.7 p -158.48 135.2 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.504 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -115.29 -61.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -70.54 -54.84 10.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.22 -128.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.96 -66.23 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.68 31.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.0 105.35 1.67 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.47 137.25 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.12 180.0 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.22 176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -104.42 178.93 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.24 72.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -47.73 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.86 -30.36 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.29 -33.86 32.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.84 -31.24 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -62.91 -33.75 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -72.79 -42.89 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.11 -29.89 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.62 -34.64 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -77.07 -38.26 52.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 p -56.76 -27.78 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.272 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.92 -16.33 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.315 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -26.75 23.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.743 0.306 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.3 ptp -86.62 -22.82 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.36 -53.41 58.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 111.319 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.4 -45.54 39.05 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.522 2.148 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -68.16 -34.0 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.967 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.15 160.24 17.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.07 171.98 12.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -65.33 146.73 54.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 123.55 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.36 152.94 50.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -71.49 -35.23 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -62.53 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.88 -38.71 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.4 m -89.9 -26.41 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.74 77.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -60.22 -30.83 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -31.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' CD1' ' CD2' ' A' ' 55' ' ' PHE . 18.1 mt -80.53 -30.73 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -73.5 -25.07 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -32.95 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -105.7 163.91 12.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -113.49 -36.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -62.75 -39.02 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.23 -45.89 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.11 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -74.64 -30.49 61.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.8 ttt -66.54 -66.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 pt -138.94 30.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.16 -35.98 41.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -63.85 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.2 mt -70.46 -32.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CD2' ' CD1' ' A' ' 41' ' ' LEU . 25.4 m-85 -68.31 -40.91 81.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -77.23 -29.88 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 168.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 152.48 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.36 30.26 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.6 38.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.98 161.59 22.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.58 -29.39 30.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.17 -32.43 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -35.18 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.52 -30.63 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.31 -30.13 69.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.2 mt -93.14 -41.46 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -60.34 -26.11 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.32 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.78 -34.72 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 p -74.53 92.81 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.67 97.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mt -75.02 -52.43 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CZ ' ' HG3' ' A' ' 92' ' ' GLU . 89.9 m-85 -97.43 126.18 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.12 -160.3 14.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.429 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.99 -175.12 5.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -79.14 -46.8 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.91 165.56 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.49 33.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -73.16 -32.7 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -83.06 173.1 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -117.99 -42.49 2.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.5 -78.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 173.56 -68.55 0.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -147.76 140.96 25.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.2 138.58 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.791 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.0 mt 60.41 163.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -176.13 75.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.6 tt 66.48 -71.52 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.176 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' CZ ' ' A' ' 75' ' ' TYR . 7.2 mp0 -58.97 -30.82 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.29 -30.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 m -76.05 -40.24 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.04 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.99 -45.94 72.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.47 -26.89 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.56 62.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -96.93 -29.66 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.92 -33.71 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.094 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.26 -31.46 38.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.07 -38.68 82.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.29 -31.11 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -61.62 -53.72 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -62.17 -52.86 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.07 103.49 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -28.23 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.24 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.64 -25.72 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.85 -30.82 62.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.2 p -80.44 -31.35 37.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -92.77 97.5 10.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -41.9 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.85 -54.55 40.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -33.7 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.2 tp -73.79 -31.52 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -80.46 -30.7 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.08 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -48.83 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.19 -30.5 68.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -30.64 63.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.13 -35.93 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.92 -32.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.31 -54.56 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -31.42 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.39 -34.6 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.2 t -81.82 -37.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -74.04 -32.65 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -73.91 -60.41 2.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 137.52 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.87 -45.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 6.1 m 64.36 18.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -129.83 89.91 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.95 -65.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.7 -176.21 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m 60.8 84.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.8 p -161.49 158.43 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.8 -90.55 0.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.07 -28.18 24.07 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.52 2.147 . . . . 0.0 112.283 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.4 m 60.62 167.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.9 p -73.8 -40.42 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.502 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -127.13 31.48 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.11 -37.04 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.11 -74.18 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -70.56 135.88 48.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.68 84.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.18 -144.6 27.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.77 144.81 16.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.55 172.54 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.6 mt -61.7 -179.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 -167.95 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.0 -29.68 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.23 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.45 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.97 -32.5 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.76 -36.82 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.55 -37.32 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.5 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.88 -30.12 24.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.014 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -46.35 15.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -55.53 -28.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.281 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.14 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -90.22 -32.98 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.085 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ptp -85.37 -26.68 26.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -57.6 -61.66 6.84 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.508 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 26.6 Cg_endo -62.39 -38.77 50.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.573 2.182 . . . . 0.0 112.539 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 31.2 p -70.56 -30.34 67.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.41 145.04 75.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.17 146.67 41.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 160.41 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.71 167.92 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.95 109.16 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.59 -27.67 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -76.17 -45.25 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -47.43 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -59.23 -30.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -39.37 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.71 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -70.92 -44.13 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -27.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.5 p -88.53 -33.65 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.58 174.6 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -132.59 -46.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.13 -51.26 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -31.22 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.04 -27.85 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -90.45 -27.07 19.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.77 -59.67 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 11.9 pt -135.98 28.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.78 -39.36 7.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -59.25 -29.05 67.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 mt -72.48 -34.04 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 4.5 m-85 -60.74 -49.77 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -72.89 -25.34 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.0 162.27 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.38 176.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.99 -31.27 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -101.02 33.36 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.75 140.39 21.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.17 -34.43 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.515 2.143 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -60.23 -27.54 67.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.65 -45.58 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.27 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.43 -31.64 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.13 -38.13 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.3 mt -77.92 -34.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -64.31 -31.39 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.39 -55.15 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -66.86 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -69.14 71.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.79 101.78 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.4 mt -102.76 -31.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' A' ' 92' ' ' GLU . 24.3 m-85 -112.44 120.76 42.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.49 -36.04 4.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 60.36 -163.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -94.8 -29.77 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -131.64 25.53 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.93 97.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.019 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -111.47 -33.28 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -74.84 104.92 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -122.64 90.1 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -147.02 32.32 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.01 36.92 50.83 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -138.68 104.59 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -106.03 177.94 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.89 99.43 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -98.98 -42.08 7.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.0 tp -176.25 -64.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -59.98 -31.09 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -67.12 -48.01 69.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.03 -30.88 69.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -37.29 87.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.16 -30.65 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -62.92 -55.55 24.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -79.22 -22.36 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.6 -45.95 73.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.81 24.99 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.07 -34.13 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.037 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.25 -30.94 16.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.8 mt -60.01 -42.23 93.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -59.88 -34.61 73.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.36 -42.62 94.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -72.17 -35.79 69.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -131.08 103.7 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -63.53 -29.7 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.0 -29.09 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.7 mt -62.54 -28.78 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 mt -58.92 -34.28 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.2 p -82.53 -30.53 29.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -103.54 103.14 13.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -77.48 -31.61 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.7 -52.64 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.02 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.2 tp -76.84 -30.83 56.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -71.07 -40.67 71.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.21 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.76 -30.6 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -73.74 -37.33 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -75.84 -30.28 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -62.16 -30.22 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 30.1 mt -95.53 -30.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 m -59.22 -31.11 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -80.19 -31.12 38.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -31.52 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.68 -37.55 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 m -71.16 -29.66 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -58.79 -66.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 59.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -90.89 -60.35 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.49 110.3 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -67.1 143.82 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -172.21 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 74.5 p -81.37 109.59 16.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 51.3 p -60.34 -34.61 74.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.18 76.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.94 95.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.23 107.06 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.577 2.185 . . . . 0.0 112.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -71.48 161.89 30.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.85 -66.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.462 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.556 -0.217 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.97 141.71 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 60.45 175.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.97 159.51 27.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.23 -52.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m 60.47 176.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.55 -104.66 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -176.36 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.66 -75.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.1 mt -74.82 -179.64 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -109.94 -176.43 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.31 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.99 -42.39 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -31.02 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -29.36 63.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.79 88.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -60.54 -35.86 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.83 -30.06 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.19 -31.17 21.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -79.0 -31.82 44.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.34 -45.96 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.83 -27.98 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.0 -19.67 40.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.319 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -91.17 -29.78 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.218 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptp -88.58 -29.18 20.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -56.99 -53.13 68.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 51.7 Cg_exo -52.95 -30.75 49.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.469 2.113 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -87.81 -33.96 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.95 149.34 97.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.86 177.41 5.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.51 2.14 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 124.4 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.5 p -82.93 117.88 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.97 128.1 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.28 -29.57 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.45 -31.55 69.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 -57.78 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.5 m -59.79 -30.71 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -60.98 -50.43 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -30.47 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.8 -51.61 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 55' ' ' PHE . 21.5 mt -64.11 -36.92 85.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.95 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.9 t -97.43 -33.04 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.92 149.79 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -114.48 -37.44 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -67.33 -44.09 79.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.91 -39.57 55.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.37 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -82.83 -27.19 31.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 ttt -82.74 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.49 45.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.197 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.83 -26.67 6.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.424 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.6 p-80 -65.72 -29.46 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.424 HG13 ' CD2' ' A' ' 53' ' ' HIS . 10.8 mt -66.01 -50.6 68.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' ' 107' ' ' ASN . 83.5 m-85 -60.28 -37.38 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.94 -31.39 66.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 ttp -66.87 169.64 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -63.48 176.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.82 -31.6 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.62 31.55 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.74 142.97 25.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.69 -26.79 27.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.509 2.139 . . . . 0.0 112.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -59.89 -34.35 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -56.09 -46.75 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.77 -30.31 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.05 -37.41 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.49 -42.59 78.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.8 mt -71.27 -41.37 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.85 -26.65 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.68 -44.7 40.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -80.08 -40.22 28.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.3 p -70.06 93.53 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.06 -48.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt 69.66 -65.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 92' ' ' GLU . 86.8 m-85 -85.81 134.4 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.33 131.22 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 170.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -57.32 -40.57 78.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -99.91 -176.34 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 m -162.96 107.73 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -128.78 -66.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -69.71 161.35 29.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.13 -65.13 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.92 -68.71 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.17 67.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.597 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.0 tttm 60.53 178.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -154.21 -56.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.036 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.0 mt -102.55 115.52 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.025 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.1 p -83.69 -166.6 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.18 -30.4 58.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -85.22 -41.57 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.42 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -64.24 -32.95 74.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.4 mt -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 m -74.5 -29.94 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 35.7 t -71.1 -30.25 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -66.41 -31.22 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 -30.74 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.96 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.05 20.82 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.337 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.0 -37.38 9.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -83.14 -31.01 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.92 -42.03 73.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.1 -31.51 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.69 -46.23 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.28 -37.76 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -114.86 100.55 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -66.83 -29.35 69.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.82 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.5 mt -59.63 -33.59 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.54 -30.02 68.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -84.62 -31.04 24.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -102.17 114.19 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -87.77 -33.01 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.72 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.37 -50.57 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 25.1 tp -61.83 -35.34 77.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.42 -30.82 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.227 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.9 mt -71.69 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -67.46 -37.15 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -30.85 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -60.63 -38.27 84.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 30.3 mt -92.27 -33.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -63.47 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -89.87 -30.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.73 -41.43 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.41 -56.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -30.92 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -60.07 -61.4 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.66 116.6 12.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -166.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.16 177.99 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.77 159.87 33.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -141.99 -61.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 t -158.61 -46.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.2 p -137.43 112.24 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.6 p -102.7 -43.77 5.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 154.34 89.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.19 -26.07 36.51 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.622 2.214 . . . . 0.0 112.278 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.3 m -68.73 97.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.73 -54.12 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.455 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -70.43 171.17 10.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -127.53 -47.61 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.77 -121.47 0.18 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -132.17 123.64 27.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -173.52 106.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 -53.59 4.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -62.22 -179.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.5 -56.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.41 176.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 179.46 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.11 98.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -55.43 25.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.03 -47.06 84.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.0 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.07 -41.81 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 t -61.97 -33.04 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.1 -37.07 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.08 -34.75 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.35 -49.24 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.46 -42.55 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.9 -16.25 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 mmt-85 -85.81 -42.31 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 ptp -77.5 -25.0 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.478 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -55.25 -57.17 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.577 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 35.8 Cg_endo -65.42 -29.67 53.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.421 2.081 . . . . 0.0 112.628 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.4 p -78.68 -29.51 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.09 150.11 51.68 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.32 173.94 10.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.585 2.19 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -177.14 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.39 170.7 15.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.85 131.07 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -83.98 -28.95 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -57.8 -30.55 65.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.19 -46.64 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.65 -28.59 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -48.09 79.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.88 -31.05 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.33 -44.25 75.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.5 mt -60.93 -39.23 88.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 p -95.62 -33.63 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.58 111.23 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -75.01 -37.4 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.26 -37.5 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.22 -28.03 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.53 -59.46 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.7 pt -134.33 36.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.291 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.35 -27.66 17.27 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.51 -28.55 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.6 -31.24 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -66.37 -39.72 89.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.34 -29.1 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 156.3 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -72.08 -178.24 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.48 39.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.87 107.37 57.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.3 -33.29 28.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.479 2.119 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -44.53 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.66 -34.81 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.6 -40.92 55.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 103' ' ' CYS . 21.7 mt -68.27 -47.01 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.33 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -70.18 -59.46 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -65.67 -33.58 76.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -90.9 79.74 5.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.85 -51.11 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.3 mt 69.68 -66.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.417 ' CE1' ' HG2' ' A' ' 92' ' ' GLU . 95.1 m-85 -85.04 96.45 9.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.63 -132.28 10.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.03 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 51.2 p90 -174.19 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.2 t70 -65.99 159.14 26.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.2 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -120.93 112.88 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -95.32 72.09 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -95.09 -37.43 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 60.21 105.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.6 -28.06 2.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -170.31 142.41 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.411 ' CD2' ' HG ' ' A' ' 88' ' ' LEU . 23.6 t-160 -174.06 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 87' ' ' HIS . 28.5 mt -148.07 133.77 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 t -114.04 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp 69.51 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -50.87 -27.47 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 75' ' ' TYR . 21.1 mt-10 -80.43 -29.23 37.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.19 -34.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -48.36 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.13 -28.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.29 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.17 -56.87 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.42 -28.47 56.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.41 -50.14 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.274 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.87 -28.44 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.46 -57.98 10.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.239 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -59.71 -32.98 71.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.08 -46.41 77.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 m -60.33 -35.24 75.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.21 -51.77 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -62.91 -34.2 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -130.96 112.27 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -29.73 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.57 70.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.8 mt -59.04 -29.24 67.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.55 -45.52 85.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.6 p -71.68 -32.21 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.68 115.0 23.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -93.99 -32.2 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -69.71 -49.43 53.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -35.2 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.0 tp -76.08 -38.26 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -66.53 -26.41 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.64 -53.2 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.05 -50.14 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.92 52.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -58.68 -29.4 66.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.48 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.015 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 33.3 mt -73.17 -32.62 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -64.08 -29.4 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -76.01 -35.17 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -49.6 73.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.63 -44.23 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.6 m -64.33 -24.57 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.02 -62.9 1.36 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.46 139.46 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.07 111.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.04 127.59 34.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.54 113.62 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -90.08 88.38 7.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -128.17 131.28 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.3 p -101.74 81.35 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.9 m -148.74 30.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 166.52 61.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.94 -36.01 8.33 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.549 2.166 . . . . 0.0 112.344 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.83 -173.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.2 m 60.31 178.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.484 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.63 36.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m 60.52 31.41 20.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.15 -148.25 4.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -135.19 160.17 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.0 -56.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.76 103.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -129.47 -177.59 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.19 -176.28 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.14 -179.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.33 177.85 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.64 -30.62 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.24 -44.55 16.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -48.38 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.61 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -39.49 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -31.02 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.8 -55.93 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -30.17 67.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.43 -37.57 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.05 -46.27 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.16 -29.88 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.1 -14.09 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.64 -28.03 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.6 ptp -88.31 -30.71 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.121 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' CB ' ' HD3' ' A' ' 27' ' ' PRO . . . -60.23 -53.25 66.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' HD3' ' CB ' ' A' ' 26' ' ' ALA . 51.5 Cg_exo -54.15 -47.7 25.59 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.509 2.14 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -70.95 -33.35 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 132.88 94.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 -178.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.47 2.114 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -118.93 162.52 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -125.11 140.61 52.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.09 108.72 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.69 -30.89 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -60.18 -30.88 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.69 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.63 -29.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.2 -50.55 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -31.17 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.36 -44.07 59.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -29.6 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 p -90.35 -31.44 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.33 101.22 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -30.97 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -58.86 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.85 -38.65 91.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -84.24 -29.98 26.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -66.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.4 pt -130.15 45.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.68 -27.15 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.94 -29.22 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 0.0 110.984 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.5 mt -69.63 -30.65 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 19.4 m-85 -62.86 -42.39 99.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.87 -30.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 127.04 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.41 153.66 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -62.99 -26.52 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.99 51.81 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -135.24 99.02 12.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.75 -24.18 12.76 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.394 2.063 . . . . 0.0 112.449 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -68.82 -27.59 65.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -36.07 65.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.96 -30.17 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -78.5 -36.08 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.25 -47.64 41.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.5 mt -66.09 -43.32 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.254 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -68.4 -41.31 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -59.23 -38.5 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -88.71 -31.56 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -64.51 94.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.59 128.29 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.2 mt -119.37 -37.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CE1' HG13 ' A' ' 95' ' ' VAL . 7.3 m-85 -97.41 -45.2 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.006 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.6 85.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.37 168.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.968 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 79' ' ' ASP . 54.7 p90 -78.62 -41.11 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.411 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 10.4 t70 -118.79 163.17 17.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.07 144.51 57.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.74 123.76 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 94.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -74.11 141.45 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.11 -48.8 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.75 -39.0 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -143.74 151.31 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -167.5 -63.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 5.4 mt -138.61 160.95 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.2 t -132.99 -53.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tp -168.32 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -61.25 -30.74 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -75.42 -29.87 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -39.73 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -59.24 -31.15 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.408 HG13 ' CE1' ' A' ' 75' ' ' TYR . 25.9 t -64.44 -55.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -59.77 -43.02 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -54.75 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.0 79.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.66 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.73 -43.82 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.45 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 14.9 mt -74.98 -41.47 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.96 -31.55 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.4 t -64.24 -51.21 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -53.93 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -114.08 112.58 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -67.4 -27.82 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.91 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.218 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.21 -28.69 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.15 -30.44 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -80.42 -39.3 28.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -84.31 122.97 29.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.81 -31.22 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.83 -43.16 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -65.98 -44.69 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.47 -30.01 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.87 -29.54 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.28 -32.17 33.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.6 -48.06 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.2 68.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.8 -30.15 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.95 -35.0 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -61.02 -30.16 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -37.86 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.84 -43.71 67.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 32.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.1 m -96.37 -23.15 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -57.18 -46.76 82.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.113 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 -37.41 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.119 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.6 t80 64.03 104.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.1 m 62.19 150.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.51 90.8 6.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.38 150.23 45.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.8 t -132.27 174.27 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.0 p -89.18 53.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 74.1 m -113.08 -62.47 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 138.38 101.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.569 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.52 102.43 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.457 2.105 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.2 m 60.92 31.57 19.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.8 t -114.48 -66.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -74.68 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -124.5 33.42 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.14 -55.76 0.5 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -158.39 -47.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -87.44 89.82 8.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.24 46.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.17 139.08 53.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.64 -170.56 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.34 163.65 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -82.66 -177.99 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.22 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.95 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.43 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.98 85.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -40.7 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.88 -48.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.12 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -34.5 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -48.33 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -59.47 -32.51 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -23.66 58.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.82 -48.73 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 ptp -69.51 -27.0 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.29 -61.31 6.85 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.593 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 19.2 Cg_endo -60.4 -42.65 39.59 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.555 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -29.42 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.61 133.83 94.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.751 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.85 -168.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.525 2.15 . . . . 0.0 112.397 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -131.39 157.97 42.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 163.27 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.6 131.07 35.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.0 -30.69 67.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.91 -38.31 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.71 -54.11 40.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.9 -29.51 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -59.01 -46.14 88.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.34 -30.84 71.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.64 -34.16 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.9 mt -81.17 -35.62 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -63.44 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 t -81.15 -32.3 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.24 162.37 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.98 -32.17 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -35.1 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 22.5 mt -71.6 -40.29 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -23.55 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.68 -29.82 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.084 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.4 ttp -80.09 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.2 pt -124.05 37.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.69 -27.35 22.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.411 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.1 p-80 -76.2 -31.54 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 53' ' ' HIS . 7.5 mt -64.2 -37.45 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.0 -31.39 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -82.34 -32.92 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.7 166.42 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -169.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.05 31.44 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.27 30.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.87 141.69 23.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 -27.93 25.24 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -78.18 -28.25 48.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -57.57 -45.26 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.83 -31.92 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.02 -45.25 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.19 -41.03 94.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.0 mt -71.39 -33.4 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -76.34 -43.39 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.05 -35.74 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -81.62 -31.09 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 87.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.59 118.34 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 HG21 ' CD1' ' A' ' 117' ' ' PHE . 4.6 mt -112.07 -34.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.422 ' CD1' ' HG3' ' A' ' 92' ' ' GLU . 26.8 m-85 -103.87 -58.94 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.0 145.45 15.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -162.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -98.19 -29.39 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.2 137.6 33.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -76.24 151.78 36.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -109.63 -23.54 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.71 80.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.8 -65.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.32 28.97 21.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.04 153.25 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.08 98.72 8.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 mt 60.55 -178.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 t -127.69 -51.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp -176.31 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -58.35 -50.71 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' HG3' ' CD1' ' A' ' 75' ' ' TYR . 15.5 mp0 -60.23 -30.47 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mt -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 31.8 t -70.05 -45.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.2 -31.25 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.52 -34.56 18.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.37 -36.74 78.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.37 24.03 6.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.277 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.55 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.91 -34.04 45.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.9 mt -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.07 -31.02 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.05 -49.47 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -65.36 -50.42 65.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.37 106.62 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.64 -25.15 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.58 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.91 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.6 mt -57.55 -37.82 73.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.6 p -81.18 -31.84 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -93.84 104.18 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -85.63 -33.2 21.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -82.99 -35.59 25.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 30.7 tp -73.1 -47.49 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.418 ' CD1' HG21 ' A' ' 74' ' ' ILE . 25.7 t80 -60.19 -30.74 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.7 72.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.73 -40.18 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.27 -30.49 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.79 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -35.25 76.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 29.0 mt -79.68 -38.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.257 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.54 -30.61 69.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -76.7 -29.86 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.66 -43.55 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.7 t -60.1 -30.86 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.9 m -77.98 -28.03 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -57.11 -67.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 102.9 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.16 -75.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.13 151.11 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -94.95 -32.07 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.01 146.5 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.1 m -119.6 151.76 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 157.24 33.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.27 -177.81 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -137.44 168.32 24.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 -176.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.594 2.196 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.4 m -80.6 79.79 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.5 m -112.59 -57.07 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.557 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -134.87 166.72 22.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -120.9 156.41 32.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 -146.6 10.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.458 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -114.77 87.15 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -77.84 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.06 104.92 0.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -141.54 134.6 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -167.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 44.5 mt -58.91 172.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -113.93 176.97 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.66 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.03 -31.86 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -49.14 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -60.47 -30.0 69.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.17 -30.32 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.18 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.6 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.23 -33.7 37.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.31 -45.82 37.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -58.49 -28.94 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.79 -19.53 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -84.03 -26.72 28.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 ptp -86.63 -25.65 24.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.302 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.68 60.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -51.29 -32.91 43.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.547 2.165 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -86.2 -31.02 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.43 147.9 75.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.45 153.77 60.74 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.529 2.153 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -68.26 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -84.02 -179.96 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.67 141.8 27.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.44 -30.92 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -42.98 65.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.85 -31.59 69.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.9 m -86.52 -28.99 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -58.15 -46.74 85.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.84 -25.58 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.87 -10.04 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.69 -65.81 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.754 0.311 . . . . 0.0 111.118 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -23.34 16.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.479 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.3 t -80.11 -32.08 39.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.347 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -97.08 175.87 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -122.06 -42.61 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -63.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.56 -40.45 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.5 -26.95 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -93.49 -38.26 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 ttt -66.4 -66.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 pt -129.16 38.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -90.76 -28.63 15.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -75.36 -27.62 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.9 mt -66.02 -38.78 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -65.04 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.32 -28.19 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.33 174.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -170.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -125.9 71.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.34 144.16 41.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.05 -39.76 84.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.63 -29.45 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -53.12 61.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -65.19 -30.7 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.69 -30.12 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -81.3 -45.46 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.9 mt -66.25 -44.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -59.62 -31.22 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.69 -37.34 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -78.41 -46.29 20.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -69.1 77.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.44 89.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.41 -39.23 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -111.13 -177.13 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.86 148.92 0.97 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -169.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -160.92 37.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -160.46 102.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.8 p -70.97 84.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -134.08 -46.0 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -115.9 160.98 19.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -79.34 119.92 23.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -148.24 104.26 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.2 37.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.57 31.07 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.49 -31.74 8.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mt -115.82 138.51 51.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 t -136.15 -51.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -167.86 -66.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.41 -31.85 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.21 -48.27 73.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.84 -38.68 91.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.2 m -62.78 -28.87 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.5 -30.92 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.243 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -62.67 -52.14 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -27.28 42.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.146 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.07 -29.88 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.403 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -91.38 -22.2 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.378 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.86 73.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.286 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -81.6 -31.42 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.0 mt -68.73 -31.17 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.4 m -75.7 -30.92 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.63 -65.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -59.15 -30.62 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -120.08 105.26 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -29.88 62.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.45 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.2 mt -65.17 -29.75 70.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.19 -31.21 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.82 -34.23 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -92.49 82.89 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -69.57 -31.32 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -46.97 78.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.96 -42.27 85.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.42 -47.41 56.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.98 -45.18 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.57 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.264 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -79.2 -30.0 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.01 -30.6 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 25.7 mt -77.92 -30.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.297 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.6 p -69.32 -29.76 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -80.39 -30.58 37.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.0 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -34.89 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 26.9 t -70.28 -48.29 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.8 p -57.69 -30.08 65.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -75.76 -50.83 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -68.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.1 t80 62.28 44.52 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.7 p -70.49 168.73 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.05 -75.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.02 -179.93 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.85 -47.38 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.8 t -161.13 106.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.8 t -144.36 90.64 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.34 161.74 37.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 110.03 2.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.252 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 m -120.36 -46.45 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.37 31.36 20.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.527 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.18 -46.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -110.89 -63.78 1.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.99 -33.91 1.45 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.11 107.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -146.01 -54.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.17 115.48 1.94 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.04 174.16 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.58 -52.23 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.5 mt -68.74 -177.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.9 -176.29 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.56 -30.68 63.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.97 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.69 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.17 -31.08 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.27 -31.25 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -75.04 -43.61 52.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.12 -31.63 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -30.67 64.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.07 -31.18 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.42 -41.02 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -58.7 -31.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.77 -20.59 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -27.53 23.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.2 ptp -87.94 -27.02 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.152 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -56.12 -53.06 67.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 48.9 Cg_exo -55.7 -42.67 65.18 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.45 2.1 . . . . 0.0 112.275 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -72.78 -31.44 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.52 156.04 25.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.26 169.93 17.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -102.17 137.77 40.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -122.55 133.41 54.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.83 120.91 26.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -60.85 -30.68 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.59 -46.02 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -58.46 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.94 -31.47 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -62.21 -31.58 72.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.43 -30.98 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.97 -38.74 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -66.58 -26.34 67.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -80.3 -32.69 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -100.27 164.99 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 -50.59 2.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -41.5 91.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.24 -34.57 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 -28.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.98 -67.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.9 pt -121.98 -3.3 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.68 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.86 -27.68 67.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -79.07 -29.34 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.78 -30.73 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.85 -40.25 94.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -30.63 69.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 148.55 32.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.33 168.34 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.76 -30.53 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 47.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -120.59 102.35 45.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.05 -26.78 10.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.516 2.144 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -73.79 -26.79 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -56.55 -50.63 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -31.63 71.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.65 -32.62 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.85 -42.31 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.01 -34.17 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -60.35 -50.3 74.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -70.47 -29.3 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.4 m -69.88 69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.58 114.71 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 20.4 mt -115.05 -37.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -97.14 -50.68 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -102.72 152.37 18.22 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -170.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -107.83 -32.23 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -117.82 139.75 50.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.1 m -81.26 140.8 34.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.09 128.3 55.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 65.5 -76.81 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -155.88 116.2 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -129.12 157.47 41.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.93 -37.15 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.24 118.76 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -59.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.1 mt -80.69 173.92 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.8 t -143.44 -48.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 tp -177.56 -61.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -62.44 -41.74 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.0 mt -78.05 -34.51 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 m -68.62 -16.1 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.405 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.1 t -81.54 -48.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.739 0.305 . . . . 0.0 111.408 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -74.97 -30.52 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.233 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.68 -31.38 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.61 -42.37 82.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.44 -26.57 60.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.05 -58.45 7.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.73 -36.19 76.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 mt -61.18 -47.09 87.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -37.42 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -63.94 -49.83 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -66.77 -31.64 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.93 104.88 6.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -29.3 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.73 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mt -64.71 -29.05 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mt -55.18 -30.37 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.105 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 45.8 p -85.14 -37.35 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.17 121.72 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -96.3 -48.08 5.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.46 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.21 -35.41 59.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.41 -53.49 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -59.94 -30.32 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.6 -51.51 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.29 -47.96 83.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.03 -29.88 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.61 -30.67 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -62.51 -56.07 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 4.5 mt -63.73 -30.1 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -31.56 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.84 -31.32 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 25.2 t -76.12 -30.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -33.53 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -68.68 -54.48 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 117.94 34.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -162.82 109.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.8 p -125.65 127.92 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -104.47 -40.24 6.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -139.54 169.48 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.56 -54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 55.58 51.47 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.028 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.2 t -67.44 -75.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.77 163.36 4.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.23 95.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.531 2.154 . . . . 0.0 112.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.7 m -92.68 134.93 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 82.4 p -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.51 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -61.66 161.68 9.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -84.1 -178.14 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.24 -45.72 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -100.69 110.29 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 p -135.75 -47.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.22 127.8 1.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.546 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.83 -176.55 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.74 -169.86 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.087 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.47 162.79 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.99 -179.39 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.67 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.14 -32.85 24.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.83 6.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.22 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -29.49 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.34 -50.07 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.64 -29.29 66.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.16 -31.01 43.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -47.33 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -58.9 -29.06 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.131 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.01 -21.38 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -85.78 -50.05 7.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -69.66 -23.46 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' N ' ' HD2' ' A' ' 27' ' ' PRO . . . -56.77 -60.9 8.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -65.3 -32.77 50.37 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.623 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 p -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.767 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.51 159.15 77.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.51 152.62 70.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.559 2.172 . . . . 0.0 112.304 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 140.86 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -120.63 136.82 54.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.07 -32.55 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -64.71 -32.75 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.88 -40.94 83.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 m -82.47 -34.1 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -62.49 -46.31 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -30.8 70.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.51 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.82 -39.67 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -29.6 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -90.88 -33.62 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.81 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -137.21 -60.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -59.24 -42.23 90.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.31 -29.9 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.982 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.93 -27.84 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -27.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 ttt -84.19 -67.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 pt -126.11 45.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.27 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -30.07 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -67.55 -30.48 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.77 -32.55 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -71.57 -35.25 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.93 -30.79 31.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -179.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -84.05 158.52 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -88.59 -31.11 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.4 56.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.07 146.08 59.27 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.94 -33.38 12.22 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.611 2.208 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -66.42 -26.93 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -56.3 22.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.01 -31.48 71.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.53 -49.03 75.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -63.78 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -62.68 -30.33 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -67.26 -54.66 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -69.89 -26.91 64.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 m -59.9 86.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.24 122.55 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -126.47 18.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.354 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' CD1' ' HG2' ' A' ' 92' ' ' GLU . 12.3 m-85 -143.25 93.71 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.92 -164.05 7.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.62 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -93.78 -176.47 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -113.47 -35.74 5.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -118.3 170.63 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -143.09 -172.81 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -69.19 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -106.1 -75.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.01 162.56 15.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.06 122.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.47 68.52 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 63.37 141.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.92 30.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.02 121.97 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -81.56 -169.84 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.58 -58.59 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -29.28 67.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.421 ' HG2' ' CD1' ' A' ' 75' ' ' TYR . 10.8 mt-10 -70.95 -46.37 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.15 -29.61 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -72.51 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.2 t -65.83 -36.71 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.48 -32.43 68.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.05 -28.7 12.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.99 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.74 17.39 13.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.14 -38.79 8.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -76.04 -34.22 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.87 -30.72 71.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.46 -31.33 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.5 t -61.31 -62.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -59.18 -49.71 76.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -111.12 106.4 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -70.23 -30.06 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 mt -59.35 -26.86 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.0 mt -57.87 -34.25 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.063 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -81.62 -31.44 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.35 93.15 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -77.41 -41.35 40.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.0 tp -66.26 -44.48 83.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -66.14 -30.64 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.16 -30.67 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.29 -41.29 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.46 94.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -62.19 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -30.0 71.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 28.0 mt -89.07 -28.28 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 t -57.68 -33.41 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -80.23 -30.12 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.05 -30.36 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.27 -45.34 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.127 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.3 m -57.96 -28.17 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.85 -66.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 115.21 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -127.39 -66.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.86 153.48 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -85.92 -31.2 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.5 174.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -53.69 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.7 t -171.23 -172.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.9 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.12 145.84 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.85 -175.54 2.16 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.16 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 p -89.05 165.43 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.57 86.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.554 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -73.81 -177.08 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 158.17 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 85.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 89.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -117.58 171.2 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.79 -93.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.581 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -175.42 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.3 -69.49 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.0 mt -70.77 -178.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.29 169.78 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.99 93.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.47 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.71 -36.84 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.72 -45.16 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.06 -33.65 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.19 -30.23 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.21 -29.39 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.6 -30.91 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.8 -44.25 23.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.3 -31.25 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.174 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -80.42 -25.66 38.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -32.94 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 ptp -87.18 -23.43 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -53.72 -53.22 59.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.28 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 59.6 Cg_exo -51.67 -45.97 34.77 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.577 2.184 . . . . 0.0 112.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -69.72 -32.56 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.2 mt -63.72 148.1 94.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.43 160.61 4.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.496 2.131 . . . . 0.0 112.228 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.06 107.32 15.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -109.55 125.94 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.91 154.77 38.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.0 -28.67 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.87 -32.11 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.33 -58.02 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.6 m -59.26 -30.0 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -31.06 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.91 -29.67 23.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mt -59.58 -28.13 66.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mt -70.71 -33.53 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -29.09 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.4 t -89.15 -31.06 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -101.86 -174.33 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.97 -48.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -31.59 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.7 mt -77.12 -36.39 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.17 -29.22 57.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -84.45 -26.78 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 ttt -82.59 -65.96 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 HD13 ' CE2' ' A' ' 55' ' ' PHE . 22.6 pt -127.48 41.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.85 -28.35 26.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -74.53 -31.37 62.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.19 -31.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 51' ' ' ILE . 2.4 m-85 -60.06 -46.83 88.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.74 -24.4 44.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 156.29 3.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.78 175.38 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.62 -36.1 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.7 -27.37 66.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.98 119.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.46 -29.79 16.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -63.51 -24.15 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.93 -43.73 73.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.65 -30.07 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.23 -37.13 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.68 -41.77 64.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.5 mt -64.94 -51.35 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.2 -34.17 73.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -67.7 -43.25 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -78.24 -19.65 53.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -95.88 39.34 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.771 0.32 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.02 71.77 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.3 mt -78.1 -40.58 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -99.75 -42.2 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.39 -143.89 3.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 78' ' ' PHE . 14.7 ttt180 -156.25 170.2 22.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.418 ' CD1' ' HG2' ' A' ' 77' ' ' ARG . 45.7 p90 -56.97 -30.97 64.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -76.04 107.85 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -122.92 31.74 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -96.49 -33.99 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -148.18 128.88 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.61 109.26 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.9 -49.65 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.23 65.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.589 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.35 -31.71 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.364 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.68 -50.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 mt -76.53 164.61 25.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.0 t -157.28 -50.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.97 -72.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -64.71 -30.8 71.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.01 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.44 -29.99 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.9 mt -72.34 -37.48 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.7 m -61.96 -29.48 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 27.5 t -86.16 -42.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.299 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -59.87 -34.54 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -30.2 23.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.0 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.74 -29.46 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.22 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -47.43 58.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.253 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.57 -30.05 68.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.33 -32.08 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.96 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.23 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.1 t -63.38 -51.65 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -59.41 -31.67 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -135.71 109.88 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -27.6 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.17 -27.7 69.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.254 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.24 -27.18 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.184 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 10.0 mt -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.972 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.4 p -79.16 -31.01 43.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.798 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -84.65 123.13 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -57.19 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -29.44 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.13 -56.87 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 29.8 tp -58.43 -29.19 65.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -72.72 -26.85 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.0 -17.07 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.599 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.4 mt -89.35 -60.25 2.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.172 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.79 32.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.562 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -79.69 -27.15 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.278 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -64.42 -34.19 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.188 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 27.1 mt -82.19 -30.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.362 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -26.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -80.49 -30.45 37.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.85 -40.55 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 24.5 t -63.0 -28.65 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.288 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -39.4 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.66 -69.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -74.5 105.07 5.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.91 -46.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.81 -176.67 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -140.97 30.66 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -112.72 -34.47 5.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.1 t -93.81 -39.43 10.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.25 91.91 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.09 -69.08 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -126.47 -150.68 7.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.74 -168.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 m -98.54 144.6 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.97 31.45 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.5 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 p -164.33 128.02 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -150.39 151.11 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.8 -39.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -127.19 35.93 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m 60.75 176.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.4 75.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.55 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.5 166.31 22.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.58 167.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.5 -173.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -100.37 -173.23 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.86 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.67 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.44 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -31.18 72.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -66.41 -31.29 71.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.7 t -74.98 -34.38 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.11 -30.9 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.81 -30.73 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -79.94 -48.07 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -56.11 -42.11 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.7 -17.74 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.325 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -91.65 -32.07 15.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 ptp -89.64 -28.54 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' CD ' ' A' ' 27' ' ' PRO . . . -57.31 -52.52 73.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 26' ' ' ALA . 45.0 Cg_exo -56.5 -30.93 84.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.489 2.126 . . . . 0.0 112.216 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -85.11 -28.3 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.32 120.87 38.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.12 -178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -102.34 152.49 21.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.19 167.61 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.74 106.35 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.19 -28.99 70.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.47 -30.52 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.4 m -59.39 -28.77 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -61.48 -48.33 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.98 -29.42 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.7 -29.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 35.6 mt -68.12 -44.82 75.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -28.14 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.4 p -88.63 -33.97 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -114.65 103.1 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -65.06 -52.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -34.18 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.84 -29.66 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -29.63 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.402 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 1.5 ttp -77.69 -69.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 pt -122.01 41.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.93 -38.52 2.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -64.81 -28.19 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.8 mt -68.95 -31.12 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.95 -57.06 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.5 -27.09 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.71 154.27 9.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.19 165.34 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -94.39 -30.29 14.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.79 50.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.47 141.9 42.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.81 -40.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.52 2.147 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.75 -28.8 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.1 -37.11 73.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.22 94.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.26 -46.26 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mt -72.68 -33.33 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -65.64 -30.97 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -74.3 -37.69 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 56.2 m-85 -86.0 -29.0 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.0 p -67.68 74.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.34 101.29 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 75' ' ' TYR . 12.9 mt -102.38 16.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.387 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.452 ' CE1' ' CG1' ' A' ' 95' ' ' VAL . 23.0 m-85 -147.62 115.4 6.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.71 164.73 40.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -178.96 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -125.5 32.46 5.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.16 170.0 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -93.68 126.49 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -99.06 -33.24 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -148.98 -53.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -135.25 -67.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 154.09 39.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.71 33.72 1.84 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 79.6 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -121.57 44.16 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.02 112.49 8.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.802 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.3 p -71.62 -170.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.9 -31.85 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -84.87 -40.62 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 68.9 mt-10 -62.45 -31.27 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -39.48 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 m -73.72 -35.21 65.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.452 ' CG1' ' CE1' ' A' ' 75' ' ' TYR . 26.2 t -59.63 -38.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.4 -60.12 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.31 -24.78 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.57 -48.05 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.22 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.97 35.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.55 -41.78 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -81.58 -31.33 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.5 mt -59.73 -32.58 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.29 -33.21 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -61.62 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.76 71.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -126.08 101.65 6.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.43 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.36 71.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -60.06 -26.54 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.6 mt -55.16 -38.83 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.5 p -79.48 -31.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.57 102.69 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -87.68 -25.45 23.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -84.89 -32.94 22.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.105 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.32 -37.23 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 19.8 tp -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.031 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.38 -44.06 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.01 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.66 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.97 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.38 -56.84 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.273 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -29.15 69.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -50.44 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.043 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 21.1 mt -77.81 -30.71 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -56.46 -54.23 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.23 -29.74 68.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.58 -52.77 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.3 -36.24 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.2 m -76.76 -46.96 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.94 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.52 143.41 28.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.63 -172.32 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.1 p -69.45 164.22 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -95.92 83.22 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -69.46 -176.56 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.1 p -95.77 -67.65 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.0 p -71.19 159.6 34.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t -169.23 113.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.64 177.53 18.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.57 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.14 121.87 9.62 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.8 t -142.6 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.3 m -96.79 -49.54 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.529 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.7 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.07 169.14 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.89 71.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.24 -32.69 22.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.44 66.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.23 71.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -66.06 -30.19 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.9 t -76.96 -38.43 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -77.33 -30.21 53.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.95 -30.85 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.17 -39.4 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.2 p -69.14 -30.24 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -20.92 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -28.1 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.598 ' SD ' HD21 ' A' ' 102' ' ' LEU . 17.1 ptp -86.9 -25.85 24.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.82 -53.74 59.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.283 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 69.1 Cg_exo -50.92 -51.28 11.52 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.541 2.16 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -70.63 -31.02 67.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.92 139.73 85.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.39 167.41 26.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -110.27 141.15 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.07 106.0 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.13 -31.19 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -71.58 -32.94 68.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -71.01 -55.02 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 m -59.41 -27.18 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -56.66 -56.86 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -30.7 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.08 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.32 -51.72 41.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -26.25 64.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -82.09 -33.49 29.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.01 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -101.77 175.25 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -129.07 -49.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.86 -39.45 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -76.47 -30.95 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.06 -37.29 69.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -31.27 26.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ttt -66.72 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.9 pt -134.9 34.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.8 -42.89 7.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG13 ' A' ' 54' ' ' ILE . 19.9 p-80 -59.06 -27.85 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 53' ' ' HIS . 24.3 mt -69.51 -33.93 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CD1' ' ND2' ' A' ' 107' ' ' ASN . 31.9 m-85 -69.61 -42.1 74.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -32.07 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 177.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -176.17 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.15 -40.87 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 57.79 4.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.09 117.42 17.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.62 -27.78 26.97 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.412 2.075 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.13 -30.94 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.84 -55.33 35.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.14 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.74 -30.32 64.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.72 -35.04 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.659 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -78.36 -44.64 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -59.9 -32.29 70.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -79.11 -42.52 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -73.04 -31.24 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -71.0 77.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.83 120.64 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -111.65 -32.25 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.514 ' HE2' HG21 ' A' ' 95' ' ' VAL . 29.3 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 HD23 ' A' ' 93' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.812 0.339 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 t -123.92 -44.39 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.9 tp -176.11 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 t-160 -69.47 -48.41 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HB3' HD23 ' A' ' 88' ' ' LEU . 3.4 mp0 -60.74 -31.46 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD23 HD22 ' A' ' 88' ' ' LEU . 33.6 mt -63.46 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 10' ' ' LEU . 19.9 m -80.6 -39.37 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' HIS . 26.0 t -60.02 -31.01 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -57.62 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.71 -30.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.6 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -97.68 -32.3 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.27 -31.51 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.598 HD21 ' SD ' ' A' ' 25' ' ' MET . 2.7 mt -73.28 -38.49 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.0 m -59.89 -31.11 69.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -60.43 -64.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -63.97 -32.49 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.636 ' HB2' HD12 ' A' ' 109' ' ' LEU . 6.2 m-20 -118.69 89.8 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.44 ' ND2' ' CD1' ' A' ' 55' ' ' PHE . 2.7 t30 -63.87 -25.22 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.14 66.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 106' ' ' ASP . 5.8 mt -58.2 -24.94 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.659 HD21 HG23 ' A' ' 68' ' ' ILE . 9.2 mt -56.7 -34.33 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.2 p -82.33 -39.28 23.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -78.41 101.86 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -45.38 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -48.18 81.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.03 -51.35 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.6 HD21 ' HB1' ' A' ' 99' ' ' ALA . 6.3 tp -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -67.98 -29.52 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.68 -30.48 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.12 -48.28 53.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.19 -42.12 90.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.3 mtp85 -61.96 -30.93 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.014 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -62.11 -46.25 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.3 mt -78.76 -32.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.9 t -59.96 -39.09 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -79.41 -30.96 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.53 -52.31 65.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -27.18 68.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -56.98 -62.52 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 94' ' ' THR . 41.7 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -172.48 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.51 -35.74 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.17 22.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -61.08 -50.48 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.52 91.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.94 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 22' ' ' VAL . 24.2 t -70.55 -46.33 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -63.45 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.74 -31.88 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -44.57 16.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 18' ' ' VAL . 10.6 p -59.3 -30.34 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.3 -19.7 31.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -27.82 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.016 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' ' 119' ' ' LEU . 10.6 ptp -88.28 -27.58 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.1 -52.9 70.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.247 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 52.8 Cg_exo -52.64 -43.91 51.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.533 2.155 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -80.37 -26.99 38.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 26' ' ' ALA . 7.7 mt -56.21 123.96 57.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.85 175.94 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 163.27 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -124.47 133.13 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -95.68 102.45 14.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.9 -29.45 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.22 -30.31 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.09 -32.83 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -86.42 -24.42 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -57.74 -58.11 9.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.49 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.24 -30.21 70.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.8 mt -79.36 -38.1 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -28.19 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -83.48 -33.07 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -85.57 175.96 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -46.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -53.14 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.84 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -75.72 -26.69 57.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -28.82 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -80.45 -66.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.1 36.86 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.242 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.32 -41.93 3.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.415 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -60.81 -28.97 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.411 HG22 ' OD1' ' A' ' 107' ' ' ASN . 33.7 mt -65.44 -33.55 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.726 ' CD2' HD11 ' A' ' 41' ' ' LEU . 13.9 m-85 -65.44 -53.39 43.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -28.43 69.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.78 172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.64 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.49 -31.67 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -125.66 65.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.68 146.86 33.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.99 -32.49 17.52 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -75.27 -26.68 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.8 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -56.24 -36.31 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.62 -30.55 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -84.23 -32.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.83 -34.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.8 HD11 ' HD2' ' A' ' 64' ' ' LYS . 10.8 mt -80.71 -45.64 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -59.13 -29.83 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.38 -47.41 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.009 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -81.82 -27.19 33.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -56.96 90.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.9 126.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 95' ' ' VAL . 32.3 mt -110.48 -33.95 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 92' ' ' GLU . 32.0 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.3 t -152.85 -53.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' H ' HG23 ' A' ' 89' ' ' THR . 17.4 tp -176.14 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.1 t60 -68.17 -50.32 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HB3' HD22 ' A' ' 88' ' ' LEU . 1.9 mp0 -59.26 -31.46 69.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.4 -48.25 82.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.688 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.73 -46.54 89.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.03 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 74' ' ' ILE . 19.7 t -55.97 -28.58 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.53 -61.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -89.48 -28.47 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.237 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.5 -47.24 84.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.29 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.532 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -73.17 -39.87 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.02 -30.77 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.6 t -68.03 -50.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -42.19 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' ' 108' ' ' ALA . 14.4 t70 -124.68 113.72 18.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.011 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -70.81 -30.09 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB3' ' OD2' ' A' ' 106' ' ' ASP . . . -61.77 -30.1 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.63 -29.98 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 68' ' ' ILE . 8.9 mt -58.16 -32.09 67.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -38.21 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.57 89.37 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -44.1 69.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.15 -31.65 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.3 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' ' 99' ' ' ALA . 37.4 tp -67.34 -32.37 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -70.54 -44.23 67.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.4 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' ' 25' ' ' MET . 74.8 mt -76.55 -51.42 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.44 -35.72 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -73.0 -31.36 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -41.25 92.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.714 ' O ' HG23 ' A' ' 127' ' ' VAL . 22.4 mt -76.56 -34.59 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.457 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 8.3 t -59.84 -50.95 71.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -63.14 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.99 -44.02 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -66.68 -33.4 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -31.78 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.21 -54.52 43.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.773 HD11 ' HA ' ' A' ' 94' ' ' THR . 12.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.45 -169.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.34 -43.19 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.78 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.0 -50.83 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.31 -52.08 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.462 ' OG ' HG22 ' A' ' 127' ' ' VAL . 16.5 t -60.01 -31.24 69.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 14' ' ' ALA . 22.0 t -76.97 -30.37 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.67 -25.98 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.43 -48.82 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.062 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -47.09 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -55.12 -28.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.273 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -87.13 -21.91 25.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -25.44 20.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ptp -88.12 -28.28 21.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.29 -53.21 68.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 73.0 Cg_exo -49.42 -42.43 41.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.681 2.254 . . . . 0.0 112.482 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 t -81.35 -31.15 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.23 138.06 56.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 176.54 9.91 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.36 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -130.28 166.82 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.08 161.01 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.65 159.87 19.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HA ' HG22 ' A' ' 37' ' ' VAL . 9.1 mt -93.37 -30.93 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -60.59 -31.77 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' A' ' 40' ' ' LEU . 29.7 m -58.81 -29.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.251 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -58.93 -58.01 10.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.27 -31.0 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 37' ' ' VAL . 56.8 mt -64.24 -30.04 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 55' ' ' PHE . 95.9 mt -72.86 -41.04 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 40' ' ' LEU . 7.9 t -88.15 -31.81 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 169.62 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -138.97 -47.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -58.73 -31.43 68.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -92.68 -31.6 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -91.96 -25.08 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -59.75 2.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.589 HD11 ' CG2' ' A' ' 111' ' ' THR . 3.0 pt -128.75 31.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.379 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.64 -36.1 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.405 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -65.36 -27.75 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 64' ' ' LYS . 36.1 mt -70.25 -37.63 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CD2' HD11 ' A' ' 41' ' ' LEU . 36.8 m-85 -64.11 -48.51 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttp -62.12 160.24 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.98 -177.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.6 -36.17 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.2 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -108.73 120.9 44.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.99 -28.73 41.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.467 2.111 . . . . 0.0 112.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.653 ' CD ' HD11 ' A' ' 68' ' ' ILE . 1.7 ttmt -58.31 -54.1 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.995 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -29.24 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.18 -27.87 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -87.85 -46.83 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.761 HG23 HD21 ' A' ' 110' ' ' LEU . 7.2 mt -61.93 -38.12 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.44 -30.73 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -70.64 -39.82 73.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -84.1 -32.17 24.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.8 m -73.07 91.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.5 98.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.652 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.8 mt -79.5 -39.85 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.844 ' CE1' HG11 ' A' ' 95' ' ' VAL . 14.4 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 92' ' ' GLU . 22.1 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 t -126.92 -51.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -176.41 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 95' ' ' VAL . 20.0 t-80 -59.41 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.496 ' HB3' HD22 ' A' ' 88' ' ' LEU . 40.5 mt-10 -58.74 -29.17 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 -35.34 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.773 ' HA ' HD11 ' A' ' 10' ' ' LEU . 4.0 m -66.59 -30.94 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.844 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.7 t -64.88 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -83.71 -52.21 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -30.63 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.94 70.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -97.69 -28.79 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.314 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.77 -35.17 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.69 -35.26 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 109' ' ' LEU . 13.5 mt -72.1 -31.19 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.78 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 100' ' ' ALA . 25.6 t -68.55 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -59.79 -31.76 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.543 ' HB2' HD12 ' A' ' 109' ' ' LEU . 55.8 m-20 -129.29 94.4 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.415 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -63.11 -30.1 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.56 -29.85 66.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ASP . 11.2 mt -64.69 -25.0 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.761 HD21 HG23 ' A' ' 68' ' ' ILE . 12.7 mt -55.68 -35.77 66.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.589 ' CG2' HD11 ' A' ' 51' ' ' ILE . 6.9 p -77.93 -40.25 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -75.97 101.69 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -82.17 -42.13 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.94 -41.5 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -49.35 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.635 HD11 ' HB1' ' A' ' 99' ' ' ALA . 8.3 tp -66.16 -30.15 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.652 ' HD1' HD13 ' A' ' 74' ' ' ILE . 33.5 t80 -69.5 -30.4 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.27 -44.25 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.71 -38.19 80.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -71.27 -47.35 57.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -60.31 -28.11 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.85 -57.51 12.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 127' ' ' VAL . 11.3 mt -70.2 -31.52 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -29.84 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -38.11 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -37.18 86.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' ILE . 29.4 t -67.39 -46.09 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -65.34 -37.38 86.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -59.82 -56.95 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 94' ' ' THR . 29.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.793 0.33 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -101.31 177.23 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.51 90.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.54 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.14 90.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.49 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.81 -40.0 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -38.58 83.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.607 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -73.49 -41.79 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -30.95 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.63 -44.77 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 t -60.44 -46.35 90.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.61 -29.98 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -80.71 -24.56 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -83.35 -30.09 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.031 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.587 ' SD ' HD21 ' A' ' 102' ' ' LEU . 11.6 ptp -87.06 -23.41 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -54.74 -53.24 62.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.312 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 65.4 Cg_exo -51.3 -46.8 29.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.8 p -73.34 -32.71 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.51 124.01 89.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.81 158.54 8.36 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.337 2.025 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 155.76 18.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 157.33 34.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.03 131.56 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.2 -31.7 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.47 -31.25 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.83 -42.52 85.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.19 -28.83 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -57.97 -50.84 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.17 -30.05 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.46 -36.3 76.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 55' ' ' PHE . 45.2 mt -65.56 -38.07 88.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -27.81 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.5 p -94.14 -33.58 13.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.463 ' CG ' HD12 ' A' ' 47' ' ' LEU . 5.2 m120 -80.59 176.03 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -136.34 -55.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.17 -47.24 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 44' ' ' ASN . 5.9 mt -70.25 -34.77 73.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.26 -28.04 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttt -80.96 -67.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.086 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.2 pt -122.9 37.54 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.24 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.12 -34.5 6.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -72.5 -28.75 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.83 -34.75 69.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 41' ' ' LEU . 25.9 m-85 -61.98 -31.55 71.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.02 -32.02 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttp -68.75 164.22 22.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -78.56 169.38 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.78 32.1 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.83 33.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.67 137.59 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.92 -27.77 55.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.464 2.109 . . . . 0.0 112.347 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.65 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.569 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.59 -30.77 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -85.62 -30.32 23.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.11 -47.8 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mt -62.92 -44.29 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -65.04 -29.68 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -33.4 66.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 43.9 m-85 -92.72 -31.26 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -75.88 78.42 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.41 91.12 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.26 -34.9 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 92' ' ' GLU . 70.1 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 90' ' ' LEU . 4.0 t -145.34 -48.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HG23 ' A' ' 89' ' ' THR . 2.8 tt -176.04 -54.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -51.9 63.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 23.5 mt-10 -60.2 -30.89 69.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.02 -30.81 71.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.603 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -79.02 -39.1 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.013 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.55 -27.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.25 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.52 -30.36 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.045 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -91.93 -29.22 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -57.53 -60.47 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.17 -28.17 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.16 -35.15 71.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.69 -34.53 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 ' SD ' ' A' ' 25' ' ' MET . 1.2 mt -65.38 -32.34 73.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.88 -31.02 66.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 100' ' ' ALA . 30.1 t -62.22 -46.39 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -63.76 -48.22 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -124.51 102.84 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.86 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.579 ' HB1' ' NH1' ' A' ' 112' ' ' ARG . . . -58.79 -28.82 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.67 -27.82 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.8 mt -57.22 -29.98 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.992 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 51' ' ' ILE . 71.2 p -82.72 -48.06 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.579 ' NH1' ' HB1' ' A' ' 108' ' ' ALA . 3.4 mtt180 -77.43 89.4 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -75.32 -41.36 57.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.2 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -82.76 -44.53 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 99' ' ' ALA . 18.1 tp -64.49 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.81 -30.7 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.97 -30.56 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.9 mt -77.12 -37.84 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.74 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.87 -58.48 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 127' ' ' VAL . 33.1 mt -69.31 -27.37 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -57.79 -31.94 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -86.38 -31.48 21.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -30.62 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 123' ' ' ILE . 28.2 t -80.82 -52.15 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.7 m -59.7 -33.91 72.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.11 -42.52 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 94' ' ' THR . 24.7 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.04 175.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 -43.52 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB1' HG11 ' A' ' 127' ' ' VAL . . . -66.15 -30.7 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.39 70.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.48 -36.99 77.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -65.37 -30.92 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.56 -30.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.53 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -82.75 -39.67 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.39 -47.66 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 12.7 p -55.88 -31.81 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.19 -24.09 37.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -29.73 19.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.027 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 102' ' ' LEU . 1.1 ptp -88.23 -26.63 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.39 -53.22 67.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.13 -31.84 46.91 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.57 2.18 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -86.29 -31.37 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.16 140.97 90.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.23 -170.47 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.504 2.136 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.53 134.14 55.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -93.99 178.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -103.89 130.4 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.8 mt -90.8 -30.86 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -56.52 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 34' ' ' LEU . 19.3 m -59.27 -29.51 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -59.14 -53.64 56.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -59.53 -30.84 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -25.35 64.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.2 mt -85.48 -43.21 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -29.13 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLU . 4.3 t -88.82 -31.67 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CB ' HD12 ' A' ' 47' ' ' LEU . 15.6 m120 -98.82 118.01 34.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -75.74 -32.23 59.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -72.36 -48.82 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' ' 44' ' ' ASN . 93.4 mt -61.29 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -87.93 -29.76 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ttt -79.07 -67.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.0 pt -123.29 43.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.179 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.35 -29.31 5.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -70.58 -28.68 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.21 -30.96 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 41' ' ' LEU . 30.0 m-85 -71.63 -31.48 66.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.0 -46.29 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 ttt -60.49 161.52 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -76.47 -175.95 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -109.39 -29.91 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -30.54 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.77 129.57 94.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.07 -25.3 19.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.519 2.146 . . . . 0.0 112.403 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -56.15 -23.26 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.8 -31.1 58.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.65 -31.0 68.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.55 -42.05 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 104' ' ' VAL . 16.2 mt -73.86 -29.3 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -61.8 -28.89 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.56 -43.38 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -76.57 -32.18 57.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.4 p -60.59 89.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -118.79 -41.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD2' ' HG3' ' A' ' 92' ' ' GLU . 46.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 92' ' ' GLU . 8.1 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 92' ' ' GLU . 1.8 t -139.24 -51.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -176.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.484 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -58.9 -39.76 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.776 ' HB3' HD22 ' A' ' 88' ' ' LEU . 2.1 mp0 -60.37 -30.79 69.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.49 -31.25 42.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.83 -31.19 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -84.26 -39.86 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -62.11 -30.37 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -29.52 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.45 -29.83 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.207 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -99.61 -21.27 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.372 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.04 56.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -93.46 -31.11 14.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.975 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 25' ' ' MET . 4.1 mt -67.2 -40.63 86.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.34 -30.14 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.599 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.2 t -59.13 -64.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.265 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -57.36 -54.7 43.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.65 101.31 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.2 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 13.0 mt -58.34 -28.22 64.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 51' ' ' ILE . 1.9 mt -57.29 -32.78 66.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.8 p -90.41 -31.74 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.22 111.23 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -89.77 -41.64 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -54.8 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 119' ' ' LEU . 9.7 tt0 -59.5 -52.56 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 99' ' ' ALA . 9.2 tp -57.87 -29.19 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.1 -30.14 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.68 -41.52 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.576 HD11 ' OE2' ' A' ' 115' ' ' GLU . 75.9 mt -68.0 -45.32 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.33 -52.26 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -29.02 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.66 -32.56 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 127' ' ' VAL . 31.5 mt -84.69 -32.07 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 t -63.46 -48.64 76.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -30.58 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.66 -53.28 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.553 HG11 ' HB1' ' A' ' 14' ' ' ALA . 21.4 t -67.23 -43.64 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.7 m -59.77 -39.38 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.09 -57.72 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.99 -179.73 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -30.51 55.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.65 -31.21 18.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -70.12 -44.64 68.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.55 -28.7 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.238 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -44.73 64.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -59.14 -38.85 80.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.995 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.7 t -67.65 -29.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.89 23.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.235 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -76.74 -40.09 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.33 -48.27 57.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 102' ' ' LEU . 11.2 p -57.53 -28.87 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.73 -19.83 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.272 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -27.5 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -88.22 -30.64 19.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.9 -52.85 71.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.223 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 49.9 Cg_exo -55.81 -34.84 92.44 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.302 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.3 p -81.64 -34.47 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt -69.59 140.34 89.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.86 167.06 27.91 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.362 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -95.03 156.39 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -106.35 173.15 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -79.31 102.82 8.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.27 -54.41 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.22 -30.57 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -64.46 -48.34 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -57.2 -29.9 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -31.42 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.17 -40.22 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.63 -28.29 69.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.013 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 39' ' ' GLU . 10.7 t -88.76 -34.67 17.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.75 172.15 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -42.99 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -59.46 -57.12 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.93 -31.27 70.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.94 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -88.92 -29.53 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -67.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.13 40.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.17 -36.33 4.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -66.81 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.307 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.21 -32.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.2 m-85 -67.5 -53.29 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.22 -25.71 66.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.26 151.39 9.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 154.93 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -88.67 -29.15 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.17 38.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.36 135.56 23.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.88 -28.68 16.24 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.501 2.134 . . . . 0.0 112.272 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -62.85 -26.84 68.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -56.48 -49.55 74.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 68' ' ' ILE . 2.6 tt0 -58.9 -43.43 90.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -31.25 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.98 -42.15 40.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 110' ' ' LEU . 7.3 mt -66.29 -40.49 86.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -70.14 -31.35 68.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -58.85 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.53 -28.44 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -60.36 86.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.38 126.73 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 74' ' ' ILE . 19.1 mt -133.37 18.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' HE1' HG11 ' A' ' 95' ' ' VAL . 15.4 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD13 HD23 ' A' ' 93' ' ' LEU . 4.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.347 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -109.59 -43.4 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -173.18 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.0 t-80 -59.48 -40.33 86.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -68.91 -30.84 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 88' ' ' LEU . 17.1 mt -64.85 -34.02 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.732 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.3 m -78.14 -31.73 49.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 91' ' ' HIS . 28.1 t -67.92 -48.34 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -35.85 82.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.04 -41.86 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.57 -31.04 69.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.582 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -77.04 -35.74 56.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -65.46 -44.77 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.19 -38.08 82.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 22' ' ' VAL . 21.9 mt -71.96 -34.18 68.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.33 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.567 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.5 t -62.98 -49.89 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -136.35 111.03 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 1.4 t30 -66.3 -30.72 71.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.39 -29.91 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 109' ' ' LEU . 12.7 mt -62.08 -28.86 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 68' ' ' ILE . 15.5 mt -57.78 -35.83 71.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.6 p -77.77 -31.14 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.76 125.2 27.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.33 -33.03 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.67 -37.5 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -41.93 98.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 ' HB1' ' A' ' 99' ' ' ALA . 29.6 tp -76.43 -30.71 57.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.16 -30.39 70.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.66 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.72 -49.63 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.33 -28.54 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.16 -48.47 80.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 127' ' ' VAL . 7.2 mt -72.59 -30.08 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -57.23 -32.16 66.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -88.66 -40.1 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 123' ' ' ILE . 22.8 t -80.33 -50.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -59.71 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 94' ' ' THR . 32.6 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.35 175.15 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -60.64 -31.32 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.29 9.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.91 74.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.3 mt -74.58 -35.0 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HG21 ' A' ' 123' ' ' ILE . 21.4 t -88.03 -34.2 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.47 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -83.31 -30.94 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.25 -45.45 55.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.867 HG23 HD23 ' A' ' 102' ' ' LEU . 11.6 p -58.21 -29.65 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.79 -23.83 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 28' ' ' THR . 1.9 mtt-85 -84.84 -43.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.319 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 ptp -77.83 -22.36 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.4 -61.43 6.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.515 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 36.0 Cg_endo -65.33 -32.39 50.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.664 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 24' ' ' ARG . 16.8 p -75.49 -33.04 60.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.84 152.09 95.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 -169.16 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -178.37 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.61 166.95 22.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.32 133.95 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.88 -31.64 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.98 -31.36 72.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -47.37 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.24 -26.69 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.6 -39.43 73.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.51 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -31.27 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 52.2 mt -80.14 -31.66 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -68.31 -28.27 67.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.5 p -82.46 -32.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -105.14 178.68 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -44.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.17 -41.12 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.2 -32.56 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -82.01 -24.05 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -92.89 -28.19 16.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -82.26 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.7 pt -119.9 34.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.77 -41.93 3.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -65.81 -29.84 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.463 HD11 ' CE2' ' A' ' 71' ' ' TYR . 26.6 mt -66.81 -30.94 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.53 -36.91 85.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.49 -31.4 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 169.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -100.83 152.04 20.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.36 -28.13 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.79 57.24 4.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.92 139.14 14.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.23 -28.47 15.39 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.62 2.214 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -74.99 -29.68 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.53 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -59.29 -45.09 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -29.4 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.88 -42.21 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.876 HG23 HD21 ' A' ' 110' ' ' LEU . 6.6 mt -64.85 -45.66 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -58.79 -28.15 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -69.14 -33.86 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 54' ' ' ILE . 84.2 m-85 -94.49 -40.69 9.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 p -59.01 97.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.69 104.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HG12 ' A' ' 95' ' ' VAL . 31.4 mt -80.52 -50.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 t -96.67 -40.53 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -176.69 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -60.17 -46.98 87.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.21 -31.67 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.51 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.636 ' HA ' HD11 ' A' ' 10' ' ' LEU . 2.1 m -70.93 -42.0 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.827 HG12 HD12 ' A' ' 74' ' ' ILE . 21.6 t -61.55 -36.87 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.88 -59.63 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.64 -59.4 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.37 -44.41 92.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -75.85 -33.11 60.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 22' ' ' VAL . 68.4 mt -71.55 -39.58 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.85 -30.5 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.3 t -59.82 -58.25 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -60.12 -46.66 88.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 21.2 t0 -108.31 104.41 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -69.47 -26.26 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -66.2 -31.9 73.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 106' ' ' ASP . 13.4 mt -59.98 -30.21 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG23 ' A' ' 68' ' ' ILE . 19.9 mt -59.92 -33.17 71.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.0 p -85.56 -38.52 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -97.96 101.1 12.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -79.16 -28.91 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -53.88 53.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -34.83 78.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.828 HD21 ' HB1' ' A' ' 99' ' ' ALA . 14.3 tp -64.93 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.17 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.63 -56.76 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.69 -40.41 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.34 87.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.285 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -29.58 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.75 -31.23 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.063 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.712 HG21 HG13 ' A' ' 18' ' ' VAL . 23.4 mt -88.53 -30.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -30.31 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.997 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -31.09 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.56 -46.85 77.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.82 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -31.06 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -72.43 -62.21 1.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.7 -175.11 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -71.15 -34.62 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.92 -49.93 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -59.75 -48.27 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.71 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 12' ' ' ALA . 3.5 mt -69.71 -40.39 76.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -49.3 78.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.608 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -66.44 -41.22 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.8 72.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.67 -31.23 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -46.69 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.6 p -56.35 -29.75 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.34 -18.45 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -46.22 8.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.1 ptp -70.62 -27.29 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.26 -61.56 6.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.517 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.612 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 18.0 Cg_endo -59.77 -42.04 49.53 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.48 2.12 . . . . 0.0 112.445 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -67.94 -29.8 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.15 156.28 88.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.55 -177.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.574 2.183 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 125.03 53.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 m -100.47 134.58 43.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 128.86 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.66 -31.45 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.14 -31.41 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.12 -49.86 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -70.36 -30.33 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.07 -47.49 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.35 -33.94 73.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -36.53 77.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 55' ' ' PHE . 10.1 mt -73.07 -30.32 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -30.6 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.6 p -86.87 -31.81 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -91.61 152.94 20.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.01 -31.57 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -79.75 -45.36 19.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -32.62 73.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.96 -29.26 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -86.41 -28.05 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -65.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 pt -129.92 36.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.316 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.63 -45.36 3.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -60.64 -29.32 69.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.5 -40.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 41' ' ' LEU . 18.6 m-85 -60.41 -50.86 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.61 175.9 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.22 -170.93 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.7 -31.16 8.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 30.95 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.52 131.08 44.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.02 -46.91 30.1 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.381 2.054 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -59.27 -25.59 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -55.8 -37.94 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -71.99 -45.41 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.66 -41.15 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.58 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 104' ' ' VAL . 38.1 mt -64.26 -40.98 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -60.3 -31.17 70.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -66.47 -55.66 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -72.22 -41.25 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.3 m -65.8 82.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.13 78.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -72.11 -30.1 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.516 ' HB3' HD21 ' A' ' 88' ' ' LEU . 67.1 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 75' ' ' TYR . 37.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 90' ' ' LEU . 10.0 t -136.79 -46.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 128' ' ' THR . 5.2 tp -170.04 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.89 -51.36 70.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.494 ' CB ' HD22 ' A' ' 88' ' ' LEU . 29.2 mt-10 -61.65 -31.06 71.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.37 -40.41 70.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.743 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -60.3 -50.54 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 74' ' ' ILE . 23.0 t -59.33 -28.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.41 -38.04 85.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.93 -31.75 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.608 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -58.71 -29.7 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.55 -30.55 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -66.9 -43.9 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -70.32 -30.9 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.627 ' HB3' HD13 ' A' ' 109' ' ' LEU . 4.1 mt -71.55 -33.13 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.68 -31.14 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.2 t -68.7 -54.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -60.0 -39.58 86.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 109' ' ' LEU . 7.1 m-20 -125.33 115.24 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.98 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' A' ' 102' ' ' LEU . 4.6 mt -60.9 -28.47 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.99 -35.01 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 p -83.56 -31.05 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -79.16 98.87 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -33.21 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.88 -30.49 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.01 -44.68 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.26 -35.17 74.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.67 -30.05 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.5 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.95 -34.08 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.31 77.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.113 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -33.77 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.86 -44.57 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 127' ' ' VAL . 23.4 mt -73.88 -32.75 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.43 -59.19 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -59.01 -29.63 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -83.32 -51.83 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.443 HG22 ' CD2' ' A' ' 90' ' ' LEU . 39.8 p -58.04 -35.91 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -79.81 -69.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 94' ' ' THR . 82.1 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.39 166.81 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -30.79 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.25 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.66 83.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.69 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -31.11 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.705 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -73.43 -45.41 54.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.16 -31.04 43.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.23 58.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.22 -31.3 16.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HB2' HG21 ' A' ' 123' ' ' ILE . 27.3 m -73.74 -38.61 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 23' ' ' GLU . 11.2 p -59.34 -30.11 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.582 ' HG3' HG13 ' A' ' 22' ' ' VAL . 36.0 mt-10 -92.44 -15.8 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -29.24 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptp -88.9 -26.25 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.3 -53.08 65.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.381 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 60.5 Cg_exo -51.72 -42.91 54.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 0.0 112.298 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -73.63 -31.84 63.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.555 HD11 HD22 ' A' ' 119' ' ' LEU . 37.1 mt -74.32 152.82 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 140.56 40.75 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.531 2.154 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.2 p -119.34 148.24 43.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.91 155.16 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.08 -30.52 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.43 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.44 -39.52 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -83.18 -26.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -56.79 -51.25 69.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -31.42 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 mt -65.9 -31.59 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.825 HD11 ' CD2' ' A' ' 55' ' ' PHE . 54.4 mt -83.07 -29.48 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -24.41 58.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 40' ' ' LEU . 5.5 t -80.36 -35.07 35.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.87 136.78 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.1 -30.98 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -74.35 -40.21 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.46 -49.8 61.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.33 75.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.66 -19.72 65.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -66.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.242 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 pt -124.36 45.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.05 -26.57 10.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -71.59 -30.1 65.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 71' ' ' TYR . 15.3 mt -67.32 -34.91 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.825 ' CD2' HD11 ' A' ' 41' ' ' LEU . 34.5 m-85 -63.85 -31.13 72.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.44 -31.45 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.92 144.1 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -76.55 157.78 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.91 -31.39 66.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.69 -30.91 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.99 109.79 2.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -26.8 32.24 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.71 -30.24 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -43.36 93.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.52 -31.0 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -81.81 -35.86 29.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.98 -42.79 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.632 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -71.74 -49.88 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -59.88 -31.26 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -44.26 94.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 54' ' ' ILE . 62.5 m-85 -80.52 -31.62 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -69.56 87.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.33 99.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.73 -32.03 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CE1' HG11 ' A' ' 95' ' ' VAL . 15.1 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HG ' ' A' ' 93' ' ' LEU . 25.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 90' ' ' LEU . 3.1 t -131.87 -50.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 89' ' ' THR . 3.3 tp -177.35 -59.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.612 ' O ' HG23 ' A' ' 95' ' ' VAL . 12.5 t-80 -57.94 -29.56 65.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -74.25 -38.83 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' HD12 ' A' ' 88' ' ' LEU . 5.1 mt -73.86 -30.49 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.503 ' HA ' HD11 ' A' ' 10' ' ' LEU . 6.7 m -63.85 -40.83 97.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -58.29 -45.54 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -59.93 -50.66 72.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.38 -45.46 79.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.21 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.734 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -58.98 -29.12 66.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.279 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.72 -58.91 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.212 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.63 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -64.78 -55.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.234 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -59.44 -31.3 69.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 109' ' ' LEU . 1.6 m-20 -133.99 109.26 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -68.98 -30.51 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.3 -27.95 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 HD12 ' A' ' 119' ' ' LEU . 10.6 mt -64.97 -28.59 69.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.632 HD21 HG23 ' A' ' 68' ' ' ILE . 11.9 mt -57.84 -34.06 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 p -82.54 -34.41 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -89.98 113.12 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.62 -35.3 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.89 60.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.91 -43.6 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.734 HD21 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -75.36 -33.95 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -61.51 -30.51 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.13 -42.59 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.611 HD12 HD21 ' A' ' 109' ' ' LEU . 39.7 mt -59.88 -46.36 89.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.58 79.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -63.41 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -55.47 34.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 127' ' ' VAL . 43.2 mt -72.04 -26.1 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.29 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.417 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.6 m -56.11 -30.19 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -85.29 -32.01 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -36.4 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.705 HG22 ' HB3' ' A' ' 17' ' ' SER . 21.6 t -71.15 -38.38 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.2 m -80.52 -33.98 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CD2' ' HG3' ' A' ' 130' ' ' LYS . 32.8 t80 -60.54 -52.59 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 129' ' ' TYR . 57.6 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.0 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.739 0.304 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -104.42 178.93 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.24 72.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -47.73 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -59.86 -30.36 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.29 -33.86 32.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.84 -31.24 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -62.91 -33.75 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ALA . 26.3 t -72.79 -42.89 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.11 -29.89 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.62 -34.64 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -77.07 -38.26 52.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 102' ' ' LEU . 10.8 p -56.76 -27.78 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.92 -16.33 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.315 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -26.75 23.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.743 0.306 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.451 ' CE ' HD11 ' A' ' 123' ' ' ILE . 15.3 ptp -86.62 -22.82 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -62.36 -53.41 58.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 111.319 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.4 -45.54 39.05 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.522 2.148 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -68.16 -34.0 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.967 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.15 160.24 17.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.07 171.98 12.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -65.33 146.73 54.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 123.55 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.36 152.94 50.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD23 ' HD1' ' A' ' 55' ' ' PHE . 1.4 mp -71.49 -35.23 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -62.53 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.88 -38.71 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.4 m -89.9 -26.41 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.74 77.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -60.22 -30.83 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -31.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 18.1 mt -80.53 -30.73 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -73.5 -25.07 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -32.95 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -105.7 163.91 12.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -113.49 -36.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -62.75 -39.02 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.23 -45.89 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.11 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -74.64 -30.49 61.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.8 ttt -66.54 -66.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 pt -138.94 30.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.16 -35.98 41.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' CD2' HG13 ' A' ' 54' ' ' ILE . 18.7 p-80 -63.85 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 53' ' ' HIS . 40.2 mt -70.46 -32.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.525 ' HD1' HD23 ' A' ' 34' ' ' LEU . 25.4 m-85 -68.31 -40.91 81.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -77.23 -29.88 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 168.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 152.48 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.36 30.26 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.6 38.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.98 161.59 22.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.58 -29.39 30.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.17 -32.43 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.804 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -62.42 -35.18 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.52 -30.63 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.31 -30.13 69.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 64' ' ' LYS . 20.2 mt -93.14 -41.46 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -60.34 -26.11 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.32 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.78 -34.72 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 p -74.53 92.81 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.67 97.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mt -75.02 -52.43 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 92' ' ' GLU . 89.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.0 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.823 0.344 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -176.13 75.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 93' ' ' LEU . 9.6 tt 66.48 -71.52 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.738 ' HB3' HD23 ' A' ' 88' ' ' LEU . 7.2 mp0 -58.97 -30.82 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 90' ' ' LEU . 84.5 mt -68.29 -30.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.478 ' HA ' HD11 ' A' ' 10' ' ' LEU . 9.4 m -76.05 -40.24 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.04 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.99 -45.94 72.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.47 -26.89 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -55.81 -31.56 62.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -96.93 -29.66 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.92 -33.71 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.26 -31.46 38.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 22' ' ' VAL . 3.3 mt -68.07 -38.68 82.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.29 -31.11 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.1 t -61.62 -53.72 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -62.17 -52.86 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.07 103.49 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -28.23 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.24 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.64 -25.72 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.85 -30.82 62.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.2 p -80.44 -31.35 37.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -92.77 97.5 10.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -41.9 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.85 -54.55 40.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -33.7 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' A' ' 99' ' ' ALA . 14.2 tp -73.79 -31.52 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -80.46 -30.7 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.08 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -48.83 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -59.19 -30.5 68.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -30.64 63.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.13 -35.93 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 127' ' ' VAL . 34.9 mt -74.92 -32.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.403 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.7 m -60.31 -54.56 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -31.42 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.39 -34.6 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -81.82 -37.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -74.04 -32.65 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -73.91 -60.41 2.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.781 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 -167.95 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.0 -29.68 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.23 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.45 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.97 -32.5 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.654 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.8 OUTLIER -60.76 -36.82 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.5 t -78.55 -37.32 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.5 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.88 -30.12 24.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.014 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -46.35 15.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.4 p -55.53 -28.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.281 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.14 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 28' ' ' THR . 29.4 mtt180 -90.22 -32.98 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.085 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ptp -85.37 -26.68 26.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.6 -61.66 6.84 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.508 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 26.6 Cg_endo -62.39 -38.77 50.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.573 2.182 . . . . 0.0 112.539 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.2 p -70.56 -30.34 67.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.41 145.04 75.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.17 146.67 41.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 160.41 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.71 167.92 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' OD2' HG13 ' A' ' 37' ' ' VAL . 5.5 p-10 -65.95 109.16 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.59 -27.67 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -76.17 -45.25 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -47.43 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG13 ' OD2' ' A' ' 33' ' ' ASP . 14.0 m -59.23 -30.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -39.37 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.71 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 48' ' ' ALA . 96.2 mt -70.92 -44.13 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -27.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.5 p -88.53 -33.65 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.58 174.6 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -132.59 -46.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.13 -51.26 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -31.22 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -71.04 -27.85 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -90.45 -27.07 19.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.77 -59.67 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 110' ' ' LEU . 11.9 pt -135.98 28.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.78 -39.36 7.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -59.25 -29.05 67.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 mt -72.48 -34.04 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 4.5 m-85 -60.74 -49.77 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -72.89 -25.34 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.0 162.27 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.38 176.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.99 -31.27 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -101.02 33.36 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.75 140.39 21.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.17 -34.43 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.515 2.143 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -60.23 -27.54 67.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.65 -45.58 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.27 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.43 -31.64 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.13 -38.13 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.699 HG23 HD21 ' A' ' 110' ' ' LEU . 11.3 mt -77.92 -34.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -64.31 -31.39 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.39 -55.15 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -66.86 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -69.14 71.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.79 101.78 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.4 mt -102.76 -31.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 92' ' ' GLU . 24.3 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 92' ' ' GLU . 12.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -98.98 -42.08 7.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.0 tp -176.25 -64.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 95' ' ' VAL . 13.8 t-160 -59.98 -31.09 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -67.12 -48.01 69.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.03 -30.88 69.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.781 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.76 -37.29 87.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -69.16 -30.65 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -62.92 -55.55 24.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.602 ' HB2' HD12 ' A' ' 10' ' ' LEU . 5.4 mt-10 -79.22 -22.36 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -54.6 -45.95 73.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.81 24.99 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.07 -34.13 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.037 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.25 -30.94 16.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 22' ' ' VAL . 40.8 mt -60.01 -42.23 93.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -59.88 -34.61 73.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.36 -42.62 94.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -72.17 -35.79 69.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -131.08 103.7 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 1.9 t30 -63.53 -29.7 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.0 -29.09 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 116' ' ' LEU . 13.7 mt -62.54 -28.78 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 68' ' ' ILE . 54.0 mt -58.92 -34.28 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.2 p -82.53 -30.53 29.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -103.54 103.14 13.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -77.48 -31.61 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.7 -52.64 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.02 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.551 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 20.2 tp -76.84 -30.83 56.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE2' HG21 ' A' ' 74' ' ' ILE . 2.9 t80 -71.07 -40.67 71.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.21 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.76 -30.6 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -73.74 -37.33 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -75.84 -30.28 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -62.16 -30.22 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.1 mt -95.53 -30.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 m -59.22 -31.11 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -80.19 -31.12 38.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -31.52 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 17' ' ' SER . 21.5 t -77.68 -37.55 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 m -71.16 -29.66 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -58.79 -66.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 94' ' ' THR . 77.1 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -109.94 -176.43 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.31 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.99 -42.39 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -31.02 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -29.36 63.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.79 88.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -60.54 -35.86 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.83 -30.06 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.19 -31.17 21.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -79.0 -31.82 44.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.34 -45.96 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.83 -27.98 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.0 -19.67 40.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.319 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -91.17 -29.78 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.218 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.511 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.5 ptp -88.58 -29.18 20.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.99 -53.13 68.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.7 Cg_exo -52.95 -30.75 49.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.469 2.113 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -87.81 -33.96 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.95 149.34 97.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.86 177.41 5.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.51 2.14 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 124.4 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.5 p -82.93 117.88 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.97 128.1 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HA ' HG22 ' A' ' 37' ' ' VAL . 2.0 mp -71.28 -29.57 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.45 -31.55 69.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 -57.78 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 55' ' ' PHE . 31.5 m -59.79 -30.71 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -60.98 -50.43 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -30.47 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER -69.8 -51.61 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 55' ' ' PHE . 21.5 mt -64.11 -36.92 85.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.95 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 40' ' ' LEU . 8.9 t -97.43 -33.04 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.92 149.79 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -114.48 -37.44 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -67.33 -44.09 79.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.91 -39.57 55.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.37 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -82.83 -27.19 31.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 ttt -82.74 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.49 45.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.197 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.83 -26.67 6.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -65.72 -29.46 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 mt -66.01 -50.6 68.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 37' ' ' VAL . 83.5 m-85 -60.28 -37.38 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.94 -31.39 66.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 ttp -66.87 169.64 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -63.48 176.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.82 -31.6 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.62 31.55 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.74 142.97 25.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.69 -26.79 27.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.509 2.139 . . . . 0.0 112.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -59.89 -34.35 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' HD11 ' A' ' 68' ' ' ILE . 4.2 tttp -56.09 -46.75 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.77 -30.31 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.05 -37.41 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.49 -42.59 78.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 104' ' ' VAL . 17.8 mt -71.27 -41.37 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.85 -26.65 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.68 -44.7 40.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -80.08 -40.22 28.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.3 p -70.06 93.53 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.501 ' HB1' ' OD1' ' A' ' 96' ' ' ASN . . . -157.06 -48.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt 69.66 -65.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 88' ' ' LEU . 86.8 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 75' ' ' TYR . 27.0 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.1 p -83.69 -166.6 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.18 -30.4 58.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 95' ' ' VAL . 17.5 t-80 -85.22 -41.57 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -64.24 -32.95 74.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 93' ' ' LEU . 12.4 mt -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.57 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.4 m -74.5 -29.94 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' A' ' 75' ' ' TYR . 35.7 t -71.1 -30.25 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . 0.501 ' OD1' ' HB1' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -66.41 -31.22 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 -30.74 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.96 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.05 20.82 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.337 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.0 -37.38 9.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -83.14 -31.01 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.429 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -69.92 -42.03 73.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 116' ' ' LEU . 1.3 m -60.1 -31.51 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.577 ' HA ' HD13 ' A' ' 68' ' ' ILE . 29.8 t -61.69 -46.23 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.28 -37.76 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.598 ' HB2' HD12 ' A' ' 109' ' ' LEU . 54.4 m-20 -114.86 100.55 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.416 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -66.83 -29.35 69.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.82 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.632 HD21 HD12 ' A' ' 119' ' ' LEU . 10.5 mt -59.63 -33.59 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.54 -30.02 68.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -84.62 -31.04 24.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -102.17 114.19 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -87.77 -33.01 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.72 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.37 -50.57 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.66 HD11 ' HB1' ' A' ' 99' ' ' ALA . 25.1 tp -61.83 -35.34 77.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.42 -30.82 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.227 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.632 HD12 HD21 ' A' ' 109' ' ' LEU . 56.9 mt -71.69 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -67.46 -37.15 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -30.85 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -60.63 -38.27 84.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.3 mt -92.27 -33.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -63.47 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -89.87 -30.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.73 -41.43 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -65.41 -56.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -30.92 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -60.07 -61.4 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' A' ' 94' ' ' THR . 2.7 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 179.46 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.11 98.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -55.43 25.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -63.03 -47.06 84.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.0 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.07 -41.81 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 t -61.97 -33.04 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.8 t -68.1 -37.07 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.08 -34.75 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.35 -49.24 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -59.46 -42.55 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.5 mm-40 -69.9 -16.25 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 28' ' ' THR . 2.3 mmt-85 -85.81 -42.31 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 123' ' ' ILE . 3.4 ptp -77.5 -25.0 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.25 -57.17 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.577 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.8 Cg_endo -65.42 -29.67 53.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.421 2.081 . . . . 0.0 112.628 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 24' ' ' ARG . 14.4 p -78.68 -29.51 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.09 150.11 51.68 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.32 173.94 10.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.585 2.19 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -177.14 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.39 170.7 15.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.85 131.07 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -83.98 -28.95 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -57.8 -30.55 65.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.19 -46.64 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.65 -28.59 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -48.09 79.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.88 -31.05 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.33 -44.25 75.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 55' ' ' PHE . 58.5 mt -60.93 -39.23 88.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 p -95.62 -33.63 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.58 111.23 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -75.01 -37.4 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.26 -37.5 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.22 -28.03 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.53 -59.46 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.83 HD11 HG22 ' A' ' 111' ' ' THR . 16.7 pt -134.33 36.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.291 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.35 -27.66 17.27 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.51 -28.55 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.6 -31.24 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.458 ' CD2' HD11 ' A' ' 41' ' ' LEU . 39.6 m-85 -66.37 -39.72 89.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.34 -29.1 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 156.3 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -72.08 -178.24 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.48 39.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.87 107.37 57.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.3 -33.29 28.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.479 2.119 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -44.53 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.66 -34.81 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.6 -40.92 55.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 103' ' ' CYS . 21.7 mt -68.27 -47.01 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.33 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -70.18 -59.46 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -65.67 -33.58 76.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -90.9 79.74 5.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.85 -51.11 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.3 mt 69.68 -66.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 92' ' ' GLU . 95.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 92' ' ' GLU . 28.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 t -114.04 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp 69.51 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 95' ' ' VAL . 35.4 t60 -50.87 -27.47 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.634 ' HB3' HD22 ' A' ' 88' ' ' LEU . 21.1 mt-10 -80.43 -29.23 37.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.19 -34.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.7 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -62.46 -48.36 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -58.13 -28.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.17 -56.87 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.42 -28.47 56.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.41 -50.14 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.274 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.87 -28.44 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.215 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.46 -57.98 10.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.239 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -59.71 -32.98 71.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 109' ' ' LEU . 16.2 mt -66.08 -46.41 77.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 m -60.33 -35.24 75.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -61.21 -51.77 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -62.91 -34.2 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -130.96 112.27 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -29.73 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.57 70.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 102' ' ' LEU . 11.8 mt -59.04 -29.24 67.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.55 -45.52 85.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.83 HG22 HD11 ' A' ' 51' ' ' ILE . 69.6 p -71.68 -32.21 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.68 115.0 23.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -93.99 -32.2 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -69.71 -49.43 53.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -35.2 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 99' ' ' ALA . 44.0 tp -76.08 -38.26 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -66.53 -26.41 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.64 -53.2 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.05 -50.14 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.92 52.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -58.68 -29.4 66.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.48 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.015 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.498 HD11 ' CE ' ' A' ' 25' ' ' MET . 33.3 mt -73.17 -32.62 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -64.08 -29.4 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -76.01 -35.17 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -49.6 73.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 17' ' ' SER . 21.5 t -61.63 -44.23 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.6 m -64.33 -24.57 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.02 -62.9 1.36 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 94' ' ' THR . 57.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.332 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.33 177.85 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.724 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -77.64 -30.62 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.24 -44.55 16.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.39 -48.38 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.61 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -60.33 -39.49 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -31.02 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -70.8 -55.93 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -30.17 67.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.43 -37.57 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.05 -46.27 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.16 -29.88 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.1 -14.09 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.64 -28.03 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.632 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.6 ptp -88.31 -30.71 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -60.23 -53.25 66.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.5 Cg_exo -54.15 -47.7 25.59 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.509 2.14 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -70.95 -33.35 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 29' ' ' LEU . 12.6 mt -62.32 132.88 94.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 -178.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.47 2.114 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -118.93 162.52 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -125.11 140.61 52.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.09 108.72 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.69 -30.89 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -60.18 -30.88 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.69 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.63 -29.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.2 -50.55 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -31.17 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.36 -44.07 59.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -29.6 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 p -90.35 -31.44 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.33 101.22 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -30.97 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -58.86 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.85 -38.65 91.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -84.24 -29.98 26.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -66.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.651 HD11 HG22 ' A' ' 111' ' ' THR . 8.4 pt -130.15 45.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.68 -27.15 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.94 -29.22 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 0.0 110.984 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.5 mt -69.63 -30.65 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 19.4 m-85 -62.86 -42.39 99.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.87 -30.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 127.04 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.41 153.66 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -62.99 -26.52 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.99 51.81 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 1.2 t70 -135.24 99.02 12.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.75 -24.18 12.76 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.394 2.063 . . . . 0.0 112.449 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -68.82 -27.59 65.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.29 -36.07 65.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.96 -30.17 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -78.5 -36.08 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.25 -47.64 41.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.777 HD11 ' HD2' ' A' ' 64' ' ' LYS . 4.5 mt -66.09 -43.32 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.254 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -68.4 -41.31 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -59.23 -38.5 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -88.71 -31.56 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -64.51 94.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.59 128.29 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.2 mt -119.37 -37.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.006 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 92' ' ' GLU . 5.4 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.2 t -132.99 -53.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.408 ' H ' HG23 ' A' ' 89' ' ' THR . 1.3 tp -168.32 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -61.25 -30.74 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 88' ' ' LEU . 28.5 mt-10 -75.42 -29.87 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' HD13 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -77.4 -39.73 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.649 ' HA ' HD11 ' A' ' 10' ' ' LEU . 8.0 m -59.24 -31.15 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.9 t -64.44 -55.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -59.77 -43.02 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -54.75 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.0 79.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.66 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -79.73 -43.82 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.45 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.632 HD21 ' SD ' ' A' ' 25' ' ' MET . 14.9 mt -74.98 -41.47 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.96 -31.55 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.4 t -64.24 -51.21 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -53.93 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -114.08 112.58 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -67.4 -27.82 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.91 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.218 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.0 mt -57.21 -28.69 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.15 -30.44 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 51' ' ' ILE . 70.7 p -80.42 -39.3 28.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -84.31 122.97 29.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.81 -31.22 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.83 -43.16 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -65.98 -44.69 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.47 -30.01 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.87 -29.54 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.28 -32.17 33.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.6 -48.06 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.2 68.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.8 -30.15 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.864 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.1 mt -89.95 -35.0 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -61.02 -30.16 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -37.86 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.84 -43.71 67.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 123' ' ' ILE . 32.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.1 m -96.37 -23.15 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -57.18 -46.76 82.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.113 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.119 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 94' ' ' THR . 84.1 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -82.66 -177.99 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.22 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.95 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.43 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.98 85.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -40.7 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.4 t -70.88 -48.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -65.12 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -34.5 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -48.33 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 11.2 p -59.47 -32.51 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -23.66 58.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.82 -48.73 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.691 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.8 ptp -69.51 -27.0 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.6 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.29 -61.31 6.85 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.593 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.6 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 19.2 Cg_endo -60.4 -42.65 39.59 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.555 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -29.42 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.61 133.83 94.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.751 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.85 -168.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.525 2.15 . . . . 0.0 112.397 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -131.39 157.97 42.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 163.27 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.6 131.07 35.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.0 -30.69 67.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.91 -38.31 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.71 -54.11 40.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 40' ' ' LEU . 15.5 m -58.9 -29.51 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -59.01 -46.14 88.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.34 -30.84 71.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 mt -59.64 -34.16 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.9 mt -81.17 -35.62 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -63.44 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 40' ' ' LEU . 6.5 t -81.15 -32.3 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.644 ' CB ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -96.24 162.37 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.98 -32.17 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -35.1 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD12 ' CB ' ' A' ' 44' ' ' ASN . 22.5 mt -71.6 -40.29 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -23.55 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.68 -29.82 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.084 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.4 ttp -80.09 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.2 pt -124.05 37.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.69 -27.35 22.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.426 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.1 p-80 -76.2 -31.54 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 51' ' ' ILE . 7.5 mt -64.2 -37.45 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.737 ' CD2' HD11 ' A' ' 41' ' ' LEU . 26.0 m-85 -68.0 -31.39 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -82.34 -32.92 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.7 166.42 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -169.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.05 31.44 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.27 30.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.87 141.69 23.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 -27.93 25.24 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -78.18 -28.25 48.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HG2' HD11 ' A' ' 68' ' ' ILE . 68.8 tttt -57.57 -45.26 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.83 -31.92 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.02 -45.25 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.19 -41.03 94.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 64' ' ' LYS . 15.0 mt -71.39 -33.4 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -76.34 -43.39 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.05 -35.74 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -81.62 -31.09 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 87.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.59 118.34 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 117' ' ' PHE . 4.6 mt -112.07 -34.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 92' ' ' GLU . 26.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.605 HD13 ' HG ' ' A' ' 93' ' ' LEU . 1.8 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 t -127.69 -51.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp -176.31 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 3.7 t60 -58.35 -50.71 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 75' ' ' TYR . 15.5 mp0 -60.23 -30.47 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.605 ' HG ' HD13 ' A' ' 88' ' ' LEU . 4.7 mt -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.89 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 91' ' ' HIS . 31.8 t -70.05 -45.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.2 -31.25 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.52 -34.56 18.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -60.37 -36.74 78.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.37 24.03 6.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.277 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.55 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.91 -34.04 45.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.691 HD21 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.07 -31.02 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.05 -49.47 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -65.36 -50.42 65.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.37 106.62 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.64 -25.15 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.58 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.91 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 68' ' ' ILE . 7.6 mt -57.55 -37.82 73.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.6 p -81.18 -31.84 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -93.84 104.18 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -85.63 -33.2 21.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -82.99 -35.59 25.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.797 HD11 ' HB1' ' A' ' 99' ' ' ALA . 30.7 tp -73.1 -47.49 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CD1' HG21 ' A' ' 74' ' ' ILE . 25.7 t80 -60.19 -30.74 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.7 72.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.73 -40.18 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.27 -30.49 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.79 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -35.25 76.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 29.0 mt -79.68 -38.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.54 -30.61 69.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -76.7 -29.86 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.66 -43.55 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -60.1 -30.86 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.9 m -77.98 -28.03 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -57.11 -67.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 94' ' ' THR . 44.5 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -113.93 176.97 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.66 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.03 -31.86 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -49.14 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 m -60.47 -30.0 69.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 14' ' ' ALA . 28.5 t -73.17 -30.32 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.6 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.23 -33.7 37.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.31 -45.82 37.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.3 p -58.49 -28.94 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.79 -19.53 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -84.03 -26.72 28.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.561 ' SD ' HD21 ' A' ' 102' ' ' LEU . 10.0 ptp -86.63 -25.65 24.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.302 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.83 -53.68 60.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 63.2 Cg_exo -51.29 -32.91 43.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.547 2.165 . . . . 0.0 112.372 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -86.2 -31.02 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 26' ' ' ALA . 25.5 mt -59.43 147.9 75.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.45 153.77 60.74 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.529 2.153 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -68.26 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -84.02 -179.96 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.67 141.8 27.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.44 -30.92 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -42.98 65.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.85 -31.59 69.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.9 m -86.52 -28.99 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -58.15 -46.74 85.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.84 -25.58 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.87 -10.04 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.761 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.4 mt -93.69 -65.81 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.754 0.311 . . . . 0.0 111.118 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -23.34 16.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.479 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.3 t -80.11 -32.08 39.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.347 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -97.08 175.87 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -122.06 -42.61 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -63.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.56 -40.45 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' LEU . . . -61.5 -26.95 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -93.49 -38.26 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 ttt -66.4 -66.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HB3' ' A' ' 110' ' ' LEU . 2.3 pt -129.16 38.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -90.76 -28.63 15.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -75.36 -27.62 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.698 HD11 ' CE2' ' A' ' 71' ' ' TYR . 40.9 mt -66.02 -38.78 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 41' ' ' LEU . 41.3 m-85 -65.04 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.32 -28.19 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.33 174.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -170.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -125.9 71.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.34 144.16 41.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.05 -39.76 84.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -64.63 -29.45 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.35 -53.12 61.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -65.19 -30.7 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.69 -30.12 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -81.3 -45.46 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 64' ' ' LYS . 8.9 mt -66.25 -44.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -59.62 -31.22 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.69 -37.34 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 54' ' ' ILE . 17.3 m-85 -78.41 -46.29 20.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -69.1 77.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.44 89.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.425 HD13 ' HD1' ' A' ' 117' ' ' PHE . 2.8 mt -63.41 -39.23 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.35 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 t -136.15 -51.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -167.86 -66.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.764 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -61.41 -31.85 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.21 -48.27 73.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.84 -38.68 91.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.769 ' HA ' HD21 ' A' ' 10' ' ' LEU . 1.2 m -62.78 -28.87 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.1 t -90.5 -30.92 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.243 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -62.67 -52.14 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -27.28 42.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.146 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -56.07 -29.88 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.403 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -91.38 -22.2 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.378 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.25 -39.86 73.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.286 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -81.6 -31.42 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.561 HD21 ' SD ' ' A' ' 25' ' ' MET . 3.0 mt -68.73 -31.17 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.4 m -75.7 -30.92 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 100' ' ' ALA . 27.4 t -64.63 -65.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -59.15 -30.62 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -120.08 105.26 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -29.88 62.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.45 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 102' ' ' LEU . 6.2 mt -65.17 -29.75 70.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.581 HD21 HG23 ' A' ' 68' ' ' ILE . 14.3 mt -58.19 -31.21 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.82 -34.23 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -92.49 82.89 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -69.57 -31.32 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -46.97 78.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD11 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -66.96 -42.27 85.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HD1' HD13 ' A' ' 74' ' ' ILE . 60.9 t80 -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.42 -47.41 56.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.98 -45.18 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -60.12 -29.57 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.264 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -79.2 -30.0 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.01 -30.6 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 127' ' ' VAL . 25.7 mt -77.92 -30.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.483 ' HA ' HG22 ' A' ' 94' ' ' THR . 47.6 p -69.32 -29.76 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -80.39 -30.58 37.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.0 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -34.89 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 123' ' ' ILE . 26.9 t -70.28 -48.29 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.8 p -57.69 -30.08 65.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -75.76 -50.83 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.9 -176.29 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.56 -30.68 63.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.97 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.69 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.17 -31.08 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.27 -31.25 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -75.04 -43.61 52.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -69.12 -31.63 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -30.67 64.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.07 -31.18 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.42 -41.02 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG22 ' HD2' ' A' ' 105' ' ' LYS . 12.4 p -58.7 -31.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.77 -20.59 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -27.53 23.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.651 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.2 ptp -87.94 -27.02 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.12 -53.06 67.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 48.9 Cg_exo -55.7 -42.67 65.18 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.45 2.1 . . . . 0.0 112.275 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -72.78 -31.44 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.52 156.04 25.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.26 169.93 17.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -102.17 137.77 40.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -122.55 133.41 54.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.83 120.91 26.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 11.5 mt -60.85 -30.68 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.59 -46.02 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -58.46 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.94 -31.47 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -62.21 -31.58 72.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.43 -30.98 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.97 -38.74 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -66.58 -26.34 67.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -80.3 -32.69 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -100.27 164.99 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 -50.59 2.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -41.5 91.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.24 -34.57 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 -28.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.98 -67.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 110' ' ' LEU . 12.9 pt -121.98 -3.3 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.68 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.86 -27.68 67.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -79.07 -29.34 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.78 -30.73 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.85 -40.25 94.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -30.63 69.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 148.55 32.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.33 168.34 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.76 -30.53 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 47.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -120.59 102.35 45.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.05 -26.78 10.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.516 2.144 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -73.79 -26.79 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -56.55 -50.63 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -31.63 71.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.65 -32.62 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.85 -42.31 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.01 -34.17 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -60.35 -50.3 74.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -70.47 -29.3 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.4 m -69.88 69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.58 114.71 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.722 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.4 mt -115.05 -37.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 93' ' ' LEU . 3.1 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 90' ' ' LEU . 5.8 t -143.44 -48.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 89' ' ' THR . 6.2 tp -177.56 -61.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 95' ' ' VAL . 58.6 t-80 -62.44 -41.74 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.683 ' CD2' HD13 ' A' ' 88' ' ' LEU . 7.0 mt -78.05 -34.51 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.65 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.2 m -68.62 -16.1 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.405 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -81.54 -48.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.739 0.305 . . . . 0.0 111.408 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -74.97 -30.52 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.233 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.68 -31.38 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -67.61 -42.37 82.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -74.44 -26.57 60.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.05 -58.45 7.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.73 -36.19 76.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.44 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -61.18 -47.09 87.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -37.42 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -63.94 -49.83 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HD2' HG22 ' A' ' 22' ' ' VAL . 11.3 mttm -66.77 -31.64 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.93 104.88 6.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -29.3 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.73 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.43 HD21 ' HG2' ' A' ' 115' ' ' GLU . 5.6 mt -64.71 -29.05 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.3 mt -55.18 -30.37 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 45.8 p -85.14 -37.35 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.17 121.72 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -96.3 -48.08 5.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.46 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.43 ' HG2' HD21 ' A' ' 109' ' ' LEU . 4.5 tt0 -76.21 -35.41 59.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp -72.41 -53.49 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.722 ' HD1' HD13 ' A' ' 74' ' ' ILE . 38.7 t80 -59.94 -30.32 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.6 -51.51 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.29 -47.96 83.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.03 -29.88 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.61 -30.67 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -62.51 -56.07 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 127' ' ' VAL . 4.5 mt -63.73 -30.1 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -31.56 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.84 -31.32 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -76.12 -30.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -33.53 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -68.68 -54.48 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 97' ' ' GLU . 9.7 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.99 -179.39 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.67 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.14 -32.85 24.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.83 6.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.22 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -29.49 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.564 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -76.34 -50.07 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.64 -29.29 66.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.16 -31.01 43.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -47.33 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.0 p -58.9 -29.06 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.01 -21.38 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 28' ' ' THR . 1.8 mmp_? -85.78 -50.05 7.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.405 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.0 ptp -69.66 -23.46 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.77 -60.9 8.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -65.3 -32.77 50.37 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.623 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.8 p -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.51 159.15 77.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.51 152.62 70.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.559 2.172 . . . . 0.0 112.304 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 140.86 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -120.63 136.82 54.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.07 -32.55 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -64.71 -32.75 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.88 -40.94 83.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 m -82.47 -34.1 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -62.49 -46.31 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -30.8 70.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.51 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 70.3 mt -69.82 -39.67 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -29.6 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -90.88 -33.62 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -89.81 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -137.21 -60.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -59.24 -42.23 90.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 44' ' ' ASN . 71.7 mt -60.31 -29.9 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.982 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -93.93 -27.84 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -27.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 ttt -84.19 -67.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.8 pt -126.11 45.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.27 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -30.07 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -67.55 -30.48 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.77 -32.55 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -71.57 -35.25 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.93 -30.79 31.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -179.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -84.05 158.52 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -88.59 -31.11 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.4 56.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.07 146.08 59.27 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.94 -33.38 12.22 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.611 2.208 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -66.42 -26.93 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -56.3 22.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.01 -31.48 71.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.53 -49.03 75.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.912 HG23 HD21 ' A' ' 110' ' ' LEU . 7.7 mt -63.78 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -62.68 -30.33 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -67.26 -54.66 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -69.89 -26.91 64.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 m -59.9 86.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.24 122.55 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 74' ' ' ILE . 3.7 mt -126.47 18.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.354 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HE2' HG11 ' A' ' 95' ' ' VAL . 12.3 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' A' ' 92' ' ' GLU . 1.2 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.748 0.308 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -81.56 -169.84 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.58 -58.59 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -59.24 -29.28 67.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.628 ' HB3' HD23 ' A' ' 88' ' ' LEU . 10.8 mt-10 -70.95 -46.37 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.15 -29.61 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -72.51 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' HIS . 27.2 t -65.83 -36.71 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.48 -32.43 68.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' HD12 ' A' ' 10' ' ' LEU . 2.4 tt0 -100.05 -28.7 12.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -57.98 -36.99 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -94.74 17.39 13.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.14 -38.79 8.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -76.04 -34.22 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 22' ' ' VAL . 7.1 mt -65.87 -30.72 71.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.46 -31.33 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ALA . 22.5 t -61.31 -62.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -59.18 -49.71 76.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 109' ' ' LEU . 74.0 m-20 -111.12 106.4 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -70.23 -30.06 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.4 mt -59.35 -26.86 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 51' ' ' ILE . 22.0 mt -57.87 -34.25 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.063 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -81.62 -31.44 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.35 93.15 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -77.41 -41.35 40.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 99' ' ' ALA . 19.0 tp -66.26 -44.48 83.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 74' ' ' ILE . 71.3 t80 -66.14 -30.64 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.16 -30.67 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.29 -41.29 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -60.6 -41.46 94.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -62.19 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -30.0 71.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.564 HG21 HG13 ' A' ' 18' ' ' VAL . 28.0 mt -89.07 -28.28 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 t -57.68 -33.41 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -80.23 -30.12 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.05 -30.36 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.4 t -81.27 -45.34 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.3 m -57.96 -28.17 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.85 -66.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 94' ' ' THR . 97.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.798 0.332 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.29 169.78 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.99 93.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.47 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.71 -36.84 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.72 -45.16 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.06 -33.65 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -66.19 -30.23 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.21 -29.39 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.6 -30.91 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.8 -44.25 23.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 HD23 ' A' ' 102' ' ' LEU . 12.0 p -58.3 -31.25 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -80.42 -25.66 38.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -32.94 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.434 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.3 ptp -87.18 -23.43 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.749 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -53.72 -53.22 59.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.28 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 59.6 Cg_exo -51.67 -45.97 34.77 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.577 2.184 . . . . 0.0 112.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -69.72 -32.56 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 119' ' ' LEU . 19.2 mt -63.72 148.1 94.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.43 160.61 4.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.496 2.131 . . . . 0.0 112.228 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.06 107.32 15.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -109.55 125.94 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.91 154.77 38.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.0 -28.67 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.87 -32.11 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.33 -58.02 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 m -59.26 -30.0 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -31.06 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.91 -29.67 23.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 37' ' ' VAL . 1.3 mt -59.58 -28.13 66.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -70.71 -33.53 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -29.09 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 40' ' ' LEU . 9.4 t -89.15 -31.06 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -101.86 -174.33 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.97 -48.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -31.59 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.7 mt -77.12 -36.39 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -76.17 -29.22 57.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -84.45 -26.78 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 ttt -82.59 -65.96 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.622 HD13 ' HB3' ' A' ' 110' ' ' LEU . 22.6 pt -127.48 41.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.85 -28.35 26.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -74.53 -31.37 62.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.19 -31.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 41' ' ' LEU . 2.4 m-85 -60.06 -46.83 88.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.74 -24.4 44.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 156.29 3.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.78 175.38 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.62 -36.1 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.7 -27.37 66.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.98 119.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.46 -29.79 16.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -63.51 -24.15 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE2' HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -54.93 -43.73 73.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.65 -30.07 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.23 -37.13 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.68 -41.77 64.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.586 HD11 ' HE2' ' A' ' 64' ' ' LYS . 8.5 mt -64.94 -51.35 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.2 -34.17 73.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -67.7 -43.25 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -78.24 -19.65 53.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -95.88 39.34 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.771 0.32 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.02 71.77 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.402 HG23 HH12 ' A' ' 113' ' ' ARG . 21.3 mt -78.1 -40.58 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.514 ' CE1' HG11 ' A' ' 95' ' ' VAL . 34.7 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.733 HD22 HD23 ' A' ' 93' ' ' LEU . 1.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.708 HG22 ' OE1' ' A' ' 92' ' ' GLU . 2.0 t -157.28 -50.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.97 -72.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -64.71 -30.8 71.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.01 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.708 ' OE1' HG22 ' A' ' 89' ' ' THR . 1.2 mp0 -68.44 -29.99 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.733 HD23 HD22 ' A' ' 88' ' ' LEU . 50.9 mt -72.34 -37.48 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.718 ' HA ' HD11 ' A' ' 10' ' ' LEU . 23.7 m -61.96 -29.48 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.514 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.5 t -86.16 -42.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.299 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -59.87 -34.54 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -30.2 23.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.0 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.74 -29.46 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.22 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.01 -47.43 58.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.253 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.57 -30.05 68.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 109' ' ' LEU . 5.5 mt -81.33 -32.08 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.23 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 100' ' ' ALA . 31.1 t -63.38 -51.65 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -59.41 -31.67 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.573 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 8.7 t70 -135.71 109.88 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -67.32 -27.6 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.573 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -62.17 -27.7 69.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.254 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 116' ' ' LEU . 9.0 mt -58.24 -27.18 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.622 ' HB3' HD13 ' A' ' 51' ' ' ILE . 10.0 mt -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.473 HG23 HD11 ' A' ' 51' ' ' ILE . 6.4 p -79.16 -31.01 43.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.798 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -84.65 123.13 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.402 HH12 HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -100.06 -57.19 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -29.44 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.13 -56.87 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 109' ' ' LEU . 29.8 tp -58.43 -29.19 65.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -72.72 -26.85 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.0 -17.07 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.599 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 29' ' ' LEU . 66.4 mt -89.35 -60.25 2.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.172 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.79 32.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.562 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -79.69 -27.15 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.278 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -64.42 -34.19 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.188 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 127' ' ' VAL . 27.1 mt -82.19 -30.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.362 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -26.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -80.49 -30.45 37.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.85 -40.55 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 123' ' ' ILE . 24.5 t -63.0 -28.65 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.288 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -39.4 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.66 -69.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.855 0.359 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -100.37 -173.23 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.86 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.93 -43.67 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.44 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -31.18 72.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -66.41 -31.29 71.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.7 t -74.98 -34.38 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.11 -30.9 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.81 -30.73 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -79.94 -48.07 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' LEU . 11.0 p -56.11 -42.11 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mm-40 -65.7 -17.74 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -91.65 -32.07 15.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.487 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.5 ptp -89.64 -28.54 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.31 -52.52 73.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 45.0 Cg_exo -56.5 -30.93 84.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.489 2.126 . . . . 0.0 112.216 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -85.11 -28.3 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ALA . 10.6 mt -56.32 120.87 38.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.12 -178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -102.34 152.49 21.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.19 167.61 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.74 106.35 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.19 -28.99 70.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.47 -30.52 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.619 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 m -59.39 -28.77 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -61.48 -48.33 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.98 -29.42 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 37' ' ' VAL . 8.5 mt -59.7 -29.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 35.6 mt -68.12 -44.82 75.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -28.14 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.4 p -88.63 -33.97 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -114.65 103.1 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -65.06 -52.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -34.18 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -71.84 -29.66 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -29.63 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.402 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 1.5 ttp -77.69 -69.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 pt -122.01 41.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.93 -38.52 2.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -64.81 -28.19 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.8 mt -68.95 -31.12 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.48 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 m-85 -58.95 -57.06 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.5 -27.09 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.71 154.27 9.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.19 165.34 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -94.39 -30.29 14.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.79 50.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.47 141.9 42.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.81 -40.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.52 2.147 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.75 -28.8 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.853 ' HE2' HD11 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -58.1 -37.11 73.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.22 94.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.26 -46.26 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.853 HD11 ' HE2' ' A' ' 64' ' ' LYS . 9.5 mt -72.68 -33.33 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -65.64 -30.97 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -74.3 -37.69 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 56.2 m-85 -86.0 -29.0 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.0 p -67.68 74.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.34 101.29 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 HD23 ' A' ' 116' ' ' LEU . 12.9 mt -102.38 16.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.387 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.864 ' CE1' HG11 ' A' ' 95' ' ' VAL . 23.0 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.3 p -71.62 -170.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.9 -31.85 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.7 t60 -84.87 -40.62 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 68.9 mt-10 -62.45 -31.27 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -39.48 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 29.8 m -73.72 -35.21 65.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.864 HG11 ' CE1' ' A' ' 75' ' ' TYR . 26.2 t -59.63 -38.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.4 -60.12 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.31 -24.78 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.57 -48.05 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.22 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -99.97 35.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.55 -41.78 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -81.58 -31.33 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 22' ' ' VAL . 11.5 mt -59.73 -32.58 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.29 -33.21 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.638 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.7 t -61.62 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.76 71.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' LEU . 10.7 m-20 -126.08 101.65 6.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 55' ' ' PHE . 2.1 t30 -65.68 -29.43 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.36 71.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 106' ' ' ASP . 6.6 mt -60.06 -26.54 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 68' ' ' ILE . 8.6 mt -55.16 -38.83 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.5 p -79.48 -31.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.57 102.69 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -87.68 -25.45 23.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -84.89 -32.94 22.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.105 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.32 -37.23 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 74' ' ' ILE . 19.8 tp -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.031 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.38 -44.06 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.01 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.66 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.97 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.38 -56.84 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.273 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -60.58 -29.15 69.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -50.44 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.043 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 127' ' ' VAL . 21.1 mt -77.81 -30.71 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -56.46 -54.23 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.23 -29.74 68.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.58 -52.77 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -58.3 -36.24 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.2 m -76.76 -46.96 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.94 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 60.28 166.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 -64.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.56 123.82 5.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.609 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -176.15 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.75 -178.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.26 -121.06 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -110.3 152.17 26.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HB1' HD22 ' A' ' 93' ' ' LEU . . . -103.93 -71.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.7 mt -85.53 169.81 13.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.07 169.14 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.89 71.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.24 -32.69 22.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.44 66.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.23 71.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -66.06 -30.19 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.9 t -76.96 -38.43 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -77.33 -30.21 53.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.95 -30.85 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.17 -39.4 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.2 p -69.14 -30.24 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -20.92 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -28.1 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.598 ' SD ' HD21 ' A' ' 102' ' ' LEU . 17.1 ptp -86.9 -25.85 24.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.82 -53.74 59.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.283 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 69.1 Cg_exo -50.92 -51.28 11.52 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.541 2.16 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -70.63 -31.02 67.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.92 139.73 85.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.39 167.41 26.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -110.27 141.15 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.07 106.0 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.13 -31.19 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -71.58 -32.94 68.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -71.01 -55.02 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 m -59.41 -27.18 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -56.66 -56.86 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -30.7 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.08 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.32 -51.72 41.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -26.25 64.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -82.09 -33.49 29.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.01 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -101.77 175.25 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -129.07 -49.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.86 -39.45 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -76.47 -30.95 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.06 -37.29 69.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -31.27 26.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ttt -66.72 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.9 pt -134.9 34.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.8 -42.89 7.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG13 ' A' ' 54' ' ' ILE . 19.9 p-80 -59.06 -27.85 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 53' ' ' HIS . 24.3 mt -69.51 -33.93 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' CD1' ' ND2' ' A' ' 107' ' ' ASN . 31.9 m-85 -69.61 -42.1 74.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -32.07 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 177.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -176.17 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.15 -40.87 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 57.79 4.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.09 117.42 17.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.62 -27.78 26.97 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.412 2.075 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.13 -30.94 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.84 -55.33 35.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.14 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.74 -30.32 64.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.72 -35.04 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.659 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -78.36 -44.64 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -59.9 -32.29 70.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -79.11 -42.52 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -73.04 -31.24 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -71.0 77.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.83 120.64 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -111.65 -32.25 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.514 ' HE2' HG21 ' A' ' 95' ' ' VAL . 29.3 m-85 -119.33 -64.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.06 172.01 3.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 -172.16 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -130.99 31.33 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -163.86 124.7 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.99 113.03 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -134.03 156.95 47.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 59.93 -174.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -99.74 31.49 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -93.73 176.63 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.68 38.36 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.547 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 87.11 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -154.97 -46.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 HD23 ' A' ' 93' ' ' LEU . 10.0 mt -117.76 133.47 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 t -123.92 -44.39 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.9 tp -176.11 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 t-160 -69.47 -48.41 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HB3' HD23 ' A' ' 88' ' ' LEU . 3.4 mp0 -60.74 -31.46 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD23 HD22 ' A' ' 88' ' ' LEU . 33.6 mt -63.46 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 10' ' ' LEU . 19.9 m -80.6 -39.37 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' HIS . 26.0 t -60.02 -31.01 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -57.62 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.71 -30.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.6 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -97.68 -32.3 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.27 -31.51 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.598 HD21 ' SD ' ' A' ' 25' ' ' MET . 2.7 mt -73.28 -38.49 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.0 m -59.89 -31.11 69.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -60.43 -64.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -63.97 -32.49 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.636 ' HB2' HD12 ' A' ' 109' ' ' LEU . 6.2 m-20 -118.69 89.8 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.44 ' ND2' ' CD1' ' A' ' 55' ' ' PHE . 2.7 t30 -63.87 -25.22 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.14 66.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 106' ' ' ASP . 5.8 mt -58.2 -24.94 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.659 HD21 HG23 ' A' ' 68' ' ' ILE . 9.2 mt -56.7 -34.33 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.2 p -82.33 -39.28 23.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -78.41 101.86 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -45.38 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -48.18 81.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.03 -51.35 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.6 HD21 ' HB1' ' A' ' 99' ' ' ALA . 6.3 tp -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -67.98 -29.52 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.68 -30.48 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.12 -48.28 53.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.19 -42.12 90.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.3 mtp85 -61.96 -30.93 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.014 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -62.11 -46.25 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.3 mt -78.76 -32.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.9 t -59.96 -39.09 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -79.41 -30.96 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.53 -52.31 65.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -27.18 68.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -56.98 -62.52 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 166.65 10.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.5 121.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 133' ' ' TYR . 1.3 m 60.19 171.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.461 ' H ' HG22 ' A' ' 132' ' ' THR . 4.0 m-85 -100.58 138.66 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -87.19 -67.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 136' ' ' THR . 70.2 p -113.69 -177.66 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 135' ' ' THR . 0.6 OUTLIER -168.34 107.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.02 31.21 20.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 124.39 -161.76 18.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.5 -173.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.646 2.231 . . . . 0.0 112.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 94.01 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.3 t -98.21 123.12 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.44 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -116.52 -40.84 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.61 152.86 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.46 -64.95 0.36 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.93 31.74 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.85 139.94 47.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -49.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.18 156.73 37.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.55 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 94' ' ' THR . 41.7 mt -65.09 175.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -172.48 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.51 -35.74 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.17 22.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -61.08 -50.48 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.52 91.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.94 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 22' ' ' VAL . 24.2 t -70.55 -46.33 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -63.45 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.74 -31.88 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -44.57 16.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 18' ' ' VAL . 10.6 p -59.3 -30.34 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.3 -19.7 31.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -27.82 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.016 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' ' 119' ' ' LEU . 10.6 ptp -88.28 -27.58 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.1 -52.9 70.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.247 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 52.8 Cg_exo -52.64 -43.91 51.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.533 2.155 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -80.37 -26.99 38.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 26' ' ' ALA . 7.7 mt -56.21 123.96 57.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.85 175.94 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 163.27 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -124.47 133.13 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -95.68 102.45 14.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.9 -29.45 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.22 -30.31 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.09 -32.83 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -86.42 -24.42 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -57.74 -58.11 9.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.49 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.24 -30.21 70.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.8 mt -79.36 -38.1 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -28.19 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -83.48 -33.07 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -85.57 175.96 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -46.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -53.14 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.02 -31.84 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -75.72 -26.69 57.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -28.82 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -80.45 -66.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.1 36.86 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.242 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.32 -41.93 3.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.415 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -60.81 -28.97 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.411 HG22 ' OD1' ' A' ' 107' ' ' ASN . 33.7 mt -65.44 -33.55 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.726 ' CD2' HD11 ' A' ' 41' ' ' LEU . 13.9 m-85 -65.44 -53.39 43.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -28.43 69.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.78 172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.64 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.49 -31.67 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -125.66 65.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.68 146.86 33.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.99 -32.49 17.52 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -75.27 -26.68 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.8 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -56.24 -36.31 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.62 -30.55 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -84.23 -32.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.83 -34.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.8 HD11 ' HD2' ' A' ' 64' ' ' LYS . 10.8 mt -80.71 -45.64 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -59.13 -29.83 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.38 -47.41 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.009 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -81.82 -27.19 33.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -56.96 90.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.9 126.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 95' ' ' VAL . 32.3 mt -110.48 -33.95 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.18 135.23 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.15 -177.79 31.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.68 -169.55 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -103.21 -31.49 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -82.7 119.55 24.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.0 m -64.54 106.05 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -136.19 -179.46 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 60.6 179.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -60.36 112.29 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 64.28 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 45.97 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 79.08 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -99.49 -38.39 8.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 92' ' ' GLU . 32.0 mt -63.89 -178.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.3 t -152.85 -53.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.429 HD21 ' OH ' ' A' ' 131' ' ' TYR . 17.4 tp -176.14 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.1 t60 -68.17 -50.32 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HB3' HD22 ' A' ' 88' ' ' LEU . 1.9 mp0 -59.26 -31.46 69.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.4 -48.25 82.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.688 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.73 -46.54 89.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.03 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 74' ' ' ILE . 19.7 t -55.97 -28.58 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.53 -61.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -89.48 -28.47 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.237 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.5 -47.24 84.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.29 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.532 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -73.17 -39.87 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.02 -30.77 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.6 t -68.03 -50.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -42.19 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' ' 108' ' ' ALA . 14.4 t70 -124.68 113.72 18.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.011 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -70.81 -30.09 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB3' ' OD2' ' A' ' 106' ' ' ASP . . . -61.77 -30.1 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.63 -29.98 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 68' ' ' ILE . 8.9 mt -58.16 -32.09 67.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -38.21 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.57 89.37 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -44.1 69.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.15 -31.65 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.3 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' ' 99' ' ' ALA . 37.4 tp -67.34 -32.37 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -70.54 -44.23 67.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.4 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' ' 25' ' ' MET . 74.8 mt -76.55 -51.42 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.44 -35.72 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -73.0 -31.36 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -41.25 92.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.714 ' O ' HG23 ' A' ' 127' ' ' VAL . 22.4 mt -76.56 -34.59 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.457 ' HG ' ' CE1' ' A' ' 91' ' ' HIS . 8.3 t -59.84 -50.95 71.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -63.14 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.99 -44.02 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -66.68 -33.4 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -31.78 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.21 -54.52 43.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.07 127.24 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.429 ' OH ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.0 40.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -133.94 151.83 51.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -121.31 -177.92 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -92.24 49.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.0 t -157.92 162.92 38.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.9 t -58.29 150.16 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 m -74.0 104.33 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.63 62.01 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 170.16 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.535 2.157 . . . . 0.0 112.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.3 t -176.38 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.7 m 60.65 106.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.445 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -173.29 163.76 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 60.37 178.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.32 -140.45 2.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.43 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -76.8 -31.69 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.79 -171.67 42.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -92.54 149.66 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 -175.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.773 HD11 ' HA ' ' A' ' 94' ' ' THR . 12.1 mt -83.21 178.75 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.45 -169.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.34 -43.19 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.78 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.0 -50.83 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.31 -52.08 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.462 ' OG ' HG22 ' A' ' 127' ' ' VAL . 16.5 t -60.01 -31.24 69.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 14' ' ' ALA . 22.0 t -76.97 -30.37 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.67 -25.98 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.43 -48.82 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.062 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -47.09 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -55.12 -28.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.273 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -87.13 -21.91 25.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -25.44 20.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ptp -88.12 -28.28 21.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.29 -53.21 68.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 73.0 Cg_exo -49.42 -42.43 41.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.681 2.254 . . . . 0.0 112.482 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 t -81.35 -31.15 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.23 138.06 56.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 176.54 9.91 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.36 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -130.28 166.82 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.08 161.01 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.65 159.87 19.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HA ' HG22 ' A' ' 37' ' ' VAL . 9.1 mt -93.37 -30.93 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -60.59 -31.77 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' A' ' 40' ' ' LEU . 29.7 m -58.81 -29.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.251 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -58.93 -58.01 10.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.27 -31.0 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 37' ' ' VAL . 56.8 mt -64.24 -30.04 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 55' ' ' PHE . 95.9 mt -72.86 -41.04 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 40' ' ' LEU . 7.9 t -88.15 -31.81 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.57 169.62 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -138.97 -47.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -58.73 -31.43 68.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -92.68 -31.6 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -91.96 -25.08 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -59.75 2.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.589 HD11 ' CG2' ' A' ' 111' ' ' THR . 3.0 pt -128.75 31.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.379 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.64 -36.1 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.405 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -65.36 -27.75 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 64' ' ' LYS . 36.1 mt -70.25 -37.63 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CD2' HD11 ' A' ' 41' ' ' LEU . 36.8 m-85 -64.11 -48.51 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttp -62.12 160.24 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.98 -177.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.6 -36.17 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.2 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -108.73 120.9 44.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.99 -28.73 41.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.467 2.111 . . . . 0.0 112.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.653 ' CD ' HD11 ' A' ' 68' ' ' ILE . 1.7 ttmt -58.31 -54.1 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.995 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -29.24 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.18 -27.87 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -87.85 -46.83 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.761 HG23 HD21 ' A' ' 110' ' ' LEU . 7.2 mt -61.93 -38.12 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.44 -30.73 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -70.64 -39.82 73.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -84.1 -32.17 24.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.8 m -73.07 91.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.5 98.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.652 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.8 mt -79.5 -39.85 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.844 ' CE1' HG11 ' A' ' 95' ' ' VAL . 14.4 m-85 -99.93 37.7 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.0 174.02 46.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -123.7 -67.23 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -166.24 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.08 173.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 t -59.27 154.52 16.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -98.49 35.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -129.13 29.84 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -176.89 169.82 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -176.59 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.1 43.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.19 142.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -114.51 112.46 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 92' ' ' GLU . 22.1 mt -71.32 172.87 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 t -126.92 -51.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -176.41 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 95' ' ' VAL . 20.0 t-80 -59.41 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.496 ' HB3' HD22 ' A' ' 88' ' ' LEU . 40.5 mt-10 -58.74 -29.17 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 -35.34 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.773 ' HA ' HD11 ' A' ' 10' ' ' LEU . 4.0 m -66.59 -30.94 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.844 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.7 t -64.88 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -83.71 -52.21 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -30.63 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.94 70.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -97.69 -28.79 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.314 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.77 -35.17 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.69 -35.26 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 109' ' ' LEU . 13.5 mt -72.1 -31.19 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.78 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 100' ' ' ALA . 25.6 t -68.55 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -59.79 -31.76 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.543 ' HB2' HD12 ' A' ' 109' ' ' LEU . 55.8 m-20 -129.29 94.4 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.415 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -63.11 -30.1 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.56 -29.85 66.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ASP . 11.2 mt -64.69 -25.0 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.761 HD21 HG23 ' A' ' 68' ' ' ILE . 12.7 mt -55.68 -35.77 66.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.589 ' CG2' HD11 ' A' ' 51' ' ' ILE . 6.9 p -77.93 -40.25 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -75.97 101.69 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -82.17 -42.13 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.94 -41.5 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -49.35 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.635 HD11 ' HB1' ' A' ' 99' ' ' ALA . 8.3 tp -66.16 -30.15 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.652 ' HD1' HD13 ' A' ' 74' ' ' ILE . 33.5 t80 -69.5 -30.4 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.27 -44.25 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.71 -38.19 80.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -71.27 -47.35 57.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -60.31 -28.11 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.85 -57.51 12.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 127' ' ' VAL . 11.3 mt -70.2 -31.52 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -29.84 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -38.11 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -37.18 86.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' ILE . 29.4 t -67.39 -46.09 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -65.34 -37.38 86.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -59.82 -56.95 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.42 86.27 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -120.63 167.07 12.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.63 153.93 26.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -139.41 133.12 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.91 158.11 31.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 60.6 p -107.41 166.55 10.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.4 p -89.76 148.81 23.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.8 m -121.24 127.17 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.78 77.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 169.0 20.16 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.548 2.166 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.3 m -66.99 177.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.7 p -131.03 117.07 18.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.493 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.36 164.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.358 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -80.93 168.6 18.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.25 15.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -131.35 178.9 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -108.93 111.89 23.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.92 -164.72 7.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HB3' HD21 ' A' ' 93' ' ' LEU . 77.3 mt-10 -60.46 107.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HA ' HD22 ' A' ' 93' ' ' LEU . . . -158.69 172.38 18.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 94' ' ' THR . 29.9 mt -72.61 -176.82 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -101.31 177.23 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.51 90.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.54 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.14 90.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.49 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.81 -40.0 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -38.58 83.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.607 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -73.49 -41.79 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -30.95 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.63 -44.77 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 t -60.44 -46.35 90.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.61 -29.98 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -80.71 -24.56 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -83.35 -30.09 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.031 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.587 ' SD ' HD21 ' A' ' 102' ' ' LEU . 11.6 ptp -87.06 -23.41 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -54.74 -53.24 62.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.312 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 65.4 Cg_exo -51.3 -46.8 29.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.8 p -73.34 -32.71 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.51 124.01 89.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.81 158.54 8.36 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.337 2.025 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 155.76 18.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 157.33 34.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.03 131.56 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.2 -31.7 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.47 -31.25 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.83 -42.52 85.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.19 -28.83 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -57.97 -50.84 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.17 -30.05 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.46 -36.3 76.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 55' ' ' PHE . 45.2 mt -65.56 -38.07 88.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -27.81 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.5 p -94.14 -33.58 13.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.463 ' CG ' HD12 ' A' ' 47' ' ' LEU . 5.2 m120 -80.59 176.03 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -136.34 -55.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.17 -47.24 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 44' ' ' ASN . 5.9 mt -70.25 -34.77 73.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.26 -28.04 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttt -80.96 -67.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.086 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.2 pt -122.9 37.54 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.24 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.12 -34.5 6.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -72.5 -28.75 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.83 -34.75 69.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 41' ' ' LEU . 25.9 m-85 -61.98 -31.55 71.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.02 -32.02 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttp -68.75 164.22 22.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -78.56 169.38 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.78 32.1 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.83 33.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.67 137.59 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.92 -27.77 55.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.464 2.109 . . . . 0.0 112.347 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.65 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.59 -30.77 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -85.62 -30.32 23.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.11 -47.8 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mt -62.92 -44.29 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -65.04 -29.68 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -72.6 -33.4 66.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 43.9 m-85 -92.72 -31.26 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -75.88 78.42 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.41 91.12 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.26 -34.9 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 92' ' ' GLU . 70.1 m-85 -101.96 144.89 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.6 -115.0 6.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -167.36 -179.39 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' CD2' ' HD3' ' A' ' 70' ' ' LYS . 25.9 p90 -108.11 31.25 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 110.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.62 69.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -116.03 -37.43 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 141.39 48.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 95.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.79 104.93 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.6 23.68 2.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.593 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.26 164.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' CD2' ' HG ' ' A' ' 88' ' ' LEU . 13.1 p-80 -165.33 -48.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' HG ' ' CD2' ' A' ' 87' ' ' HIS . 31.2 mt -67.08 175.73 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 90' ' ' LEU . 4.0 t -145.34 -48.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HG23 ' A' ' 89' ' ' THR . 2.8 tt -176.04 -54.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -51.9 63.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 23.5 mt-10 -60.2 -30.89 69.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.496 HD22 ' HA ' ' A' ' 9' ' ' ALA . 5.8 mt -65.02 -30.81 71.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.603 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -79.02 -39.1 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.013 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.55 -27.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.25 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.52 -30.36 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.045 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -91.93 -29.22 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -57.53 -60.47 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.17 -28.17 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.16 -35.15 71.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.69 -34.53 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 ' SD ' ' A' ' 25' ' ' MET . 1.2 mt -65.38 -32.34 73.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.88 -31.02 66.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 100' ' ' ALA . 30.1 t -62.22 -46.39 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -63.76 -48.22 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -124.51 102.84 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.86 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.579 ' HB1' ' NH1' ' A' ' 112' ' ' ARG . . . -58.79 -28.82 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.67 -27.82 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.8 mt -57.22 -29.98 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.992 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 51' ' ' ILE . 71.2 p -82.72 -48.06 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.579 ' NH1' ' HB1' ' A' ' 108' ' ' ALA . 3.4 mtt180 -77.43 89.4 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -75.32 -41.36 57.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.2 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -82.76 -44.53 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 99' ' ' ALA . 18.1 tp -64.49 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.81 -30.7 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.97 -30.56 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.9 mt -77.12 -37.84 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.74 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.87 -58.48 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 127' ' ' VAL . 33.1 mt -69.31 -27.37 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -57.79 -31.94 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -86.38 -31.48 21.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -30.62 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 123' ' ' ILE . 28.2 t -80.82 -52.15 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.7 m -59.7 -33.91 72.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.11 -42.52 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 107.45 15.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.25 135.58 46.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.4 p -67.99 114.03 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 27.3 p90 -92.93 116.52 29.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -103.17 134.42 46.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.95 147.03 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.94 166.69 13.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 p -102.65 161.86 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -134.93 158.22 23.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.0 -35.42 11.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.623 2.215 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.9 m -148.68 160.07 43.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.8 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.2 p -167.17 33.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.539 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -80.31 156.6 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.733 0.301 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.54 97.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.63 172.86 33.54 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.573 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.52 176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -128.45 161.42 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.28 44.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.6 -175.23 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' OE2' ' A' ' 97' ' ' GLU . . . -104.9 138.34 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 94' ' ' THR . 24.7 mt 60.8 165.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.04 175.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 -43.52 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB1' HG11 ' A' ' 127' ' ' VAL . . . -66.15 -30.7 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.39 70.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.48 -36.99 77.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -65.37 -30.92 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.56 -30.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.53 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -82.75 -39.67 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.39 -47.66 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 12.7 p -55.88 -31.81 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.19 -24.09 37.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -29.73 19.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.027 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 102' ' ' LEU . 1.1 ptp -88.23 -26.63 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.39 -53.22 67.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.13 -31.84 46.91 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.57 2.18 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -86.29 -31.37 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.16 140.97 90.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.23 -170.47 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.504 2.136 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.53 134.14 55.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -93.99 178.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -103.89 130.4 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.8 mt -90.8 -30.86 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -56.52 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 34' ' ' LEU . 19.3 m -59.27 -29.51 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -59.14 -53.64 56.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -59.53 -30.84 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -25.35 64.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.2 mt -85.48 -43.21 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -29.13 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLU . 4.3 t -88.82 -31.67 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CB ' HD12 ' A' ' 47' ' ' LEU . 15.6 m120 -98.82 118.01 34.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -75.74 -32.23 59.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -72.36 -48.82 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' ' 44' ' ' ASN . 93.4 mt -61.29 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -87.93 -29.76 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ttt -79.07 -67.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.0 pt -123.29 43.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.179 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.35 -29.31 5.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -70.58 -28.68 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.21 -30.96 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 41' ' ' LEU . 30.0 m-85 -71.63 -31.48 66.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.0 -46.29 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 ttt -60.49 161.52 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -76.47 -175.95 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -109.39 -29.91 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -30.54 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.77 129.57 94.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.07 -25.3 19.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.519 2.146 . . . . 0.0 112.403 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -56.15 -23.26 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.8 -31.1 58.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.65 -31.0 68.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.55 -42.05 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 104' ' ' VAL . 16.2 mt -73.86 -29.3 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -61.8 -28.89 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.56 -43.38 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -76.57 -32.18 57.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.4 p -60.59 89.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -118.79 -41.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD2' ' HG3' ' A' ' 92' ' ' GLU . 46.0 m-85 -96.18 94.86 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.24 164.66 29.76 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 156.78 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -103.03 40.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.27 146.18 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -82.81 129.22 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.51 164.65 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 175.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -63.57 -55.07 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.43 163.17 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.57 -43.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.619 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.82 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 61.22 -173.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 92' ' ' GLU . 8.1 mt 58.71 -178.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 92' ' ' GLU . 1.8 t -139.24 -51.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -176.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.484 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -58.9 -39.76 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.776 ' HB3' HD22 ' A' ' 88' ' ' LEU . 2.1 mp0 -60.37 -30.79 69.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.49 -31.25 42.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.83 -31.19 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -84.26 -39.86 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -62.11 -30.37 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -95.95 -29.52 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.45 -29.83 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.207 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -99.61 -21.27 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.372 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.04 56.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -93.46 -31.11 14.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.975 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 25' ' ' MET . 4.1 mt -67.2 -40.63 86.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.34 -30.14 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.599 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.2 t -59.13 -64.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.265 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -57.36 -54.7 43.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.65 101.31 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.2 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 13.0 mt -58.34 -28.22 64.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 51' ' ' ILE . 1.9 mt -57.29 -32.78 66.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.8 p -90.41 -31.74 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.22 111.23 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -89.77 -41.64 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -54.8 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 119' ' ' LEU . 9.7 tt0 -59.5 -52.56 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 99' ' ' ALA . 9.2 tp -57.87 -29.19 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.1 -30.14 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.68 -41.52 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.576 HD11 ' OE2' ' A' ' 115' ' ' GLU . 75.9 mt -68.0 -45.32 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.33 -52.26 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -29.02 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.66 -32.56 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 127' ' ' VAL . 31.5 mt -84.69 -32.07 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 t -63.46 -48.64 76.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -30.58 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.66 -53.28 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.553 HG11 ' HB1' ' A' ' 14' ' ' ALA . 21.4 t -67.23 -43.64 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.7 m -59.77 -39.38 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.09 -57.72 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -108.45 105.31 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -169.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 p -76.68 143.45 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -108.15 154.33 21.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.88 148.82 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.1 p -105.91 115.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 136' ' ' THR . 5.0 t -148.96 109.23 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 m -147.12 31.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -148.11 147.05 17.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.14 -31.15 9.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.9 p -78.84 -75.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.04 176.82 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.509 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t 60.33 99.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -134.87 42.85 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.92 163.77 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -91.8 161.58 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -117.98 33.72 5.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.88 179.34 24.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -136.38 122.72 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.7 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt -80.02 173.08 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.99 -179.73 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -30.51 55.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.65 -31.21 18.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -70.12 -44.64 68.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.55 -28.7 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.238 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -44.73 64.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -59.14 -38.85 80.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.995 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.7 t -67.65 -29.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.89 23.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.235 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -76.74 -40.09 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.33 -48.27 57.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 102' ' ' LEU . 11.2 p -57.53 -28.87 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.73 -19.83 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.272 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -27.5 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -88.22 -30.64 19.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.9 -52.85 71.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.223 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 49.9 Cg_exo -55.81 -34.84 92.44 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.302 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.3 p -81.64 -34.47 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt -69.59 140.34 89.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.86 167.06 27.91 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.362 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -95.03 156.39 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -106.35 173.15 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -79.31 102.82 8.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.27 -54.41 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.22 -30.57 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -64.46 -48.34 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -57.2 -29.9 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -31.42 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.17 -40.22 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.63 -28.29 69.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.013 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 39' ' ' GLU . 10.7 t -88.76 -34.67 17.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.75 172.15 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -42.99 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -59.46 -57.12 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.93 -31.27 70.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.94 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -88.92 -29.53 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -67.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.13 40.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.17 -36.33 4.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -66.81 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.307 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.21 -32.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.2 m-85 -67.5 -53.29 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.22 -25.71 66.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.26 151.39 9.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 154.93 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -88.67 -29.15 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.17 38.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.36 135.56 23.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.88 -28.68 16.24 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.501 2.134 . . . . 0.0 112.272 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -62.85 -26.84 68.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -56.48 -49.55 74.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 68' ' ' ILE . 2.6 tt0 -58.9 -43.43 90.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -31.25 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.98 -42.15 40.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 110' ' ' LEU . 7.3 mt -66.29 -40.49 86.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -70.14 -31.35 68.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -58.85 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.53 -28.44 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -60.36 86.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.38 126.73 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 74' ' ' ILE . 19.1 mt -133.37 18.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' HE1' HG11 ' A' ' 95' ' ' VAL . 15.4 m-85 -143.42 -49.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.61 -127.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.18 -163.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -89.94 -29.43 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -79.88 116.44 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -111.77 -177.27 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.33 163.6 15.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 60.73 167.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.7 104.53 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.32 -70.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.67 46.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.51 -173.01 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 63.72 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD13 HD23 ' A' ' 93' ' ' LEU . 4.3 mt -127.81 122.97 34.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -109.59 -43.4 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -173.18 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.0 t-80 -59.48 -40.33 86.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -68.91 -30.84 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 88' ' ' LEU . 17.1 mt -64.85 -34.02 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.732 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.3 m -78.14 -31.73 49.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 91' ' ' HIS . 28.1 t -67.92 -48.34 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -35.85 82.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.04 -41.86 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.57 -31.04 69.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.582 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -77.04 -35.74 56.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -65.46 -44.77 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.19 -38.08 82.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 22' ' ' VAL . 21.9 mt -71.96 -34.18 68.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.33 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.567 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.5 t -62.98 -49.89 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -136.35 111.03 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 1.4 t30 -66.3 -30.72 71.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.39 -29.91 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 109' ' ' LEU . 12.7 mt -62.08 -28.86 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 68' ' ' ILE . 15.5 mt -57.78 -35.83 71.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.6 p -77.77 -31.14 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.76 125.2 27.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.33 -33.03 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.67 -37.5 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -41.93 98.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 ' HB1' ' A' ' 99' ' ' ALA . 29.6 tp -76.43 -30.71 57.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.16 -30.39 70.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.66 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.72 -49.63 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.33 -28.54 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.16 -48.47 80.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 127' ' ' VAL . 7.2 mt -72.59 -30.08 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -57.23 -32.16 66.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -88.66 -40.1 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 123' ' ' ILE . 22.8 t -80.33 -50.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -59.71 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -76.04 88.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.48 30.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 p -75.3 110.72 9.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -90.56 141.55 28.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -114.57 153.08 30.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.5 83.93 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.84 99.15 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.1 t 60.89 166.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.97 61.45 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.562 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.21 103.62 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.57 2.18 . . . . 0.0 112.381 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 t -133.59 -50.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.8 p -93.69 -176.02 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.472 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -141.3 31.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -147.5 104.52 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.93 121.55 3.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -106.71 72.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.12 172.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.75 -167.6 12.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.55 119.67 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.49 -179.06 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 94' ' ' THR . 32.6 mt -60.4 165.33 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.35 175.15 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -60.64 -31.32 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.29 9.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.91 74.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.3 mt -74.58 -35.0 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HG21 ' A' ' 123' ' ' ILE . 21.4 t -88.03 -34.2 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.47 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -83.31 -30.94 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.25 -45.45 55.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.867 HG23 HD23 ' A' ' 102' ' ' LEU . 11.6 p -58.21 -29.65 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.79 -23.83 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 28' ' ' THR . 1.9 mtt-85 -84.84 -43.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.319 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 ptp -77.83 -22.36 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.4 -61.43 6.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.515 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 36.0 Cg_endo -65.33 -32.39 50.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.664 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 24' ' ' ARG . 16.8 p -75.49 -33.04 60.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.84 152.09 95.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 -169.16 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -178.37 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.61 166.95 22.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.32 133.95 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.88 -31.64 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.98 -31.36 72.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -47.37 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.24 -26.69 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.6 -39.43 73.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.51 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -31.27 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 52.2 mt -80.14 -31.66 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -68.31 -28.27 67.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.5 p -82.46 -32.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -105.14 178.68 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -44.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.17 -41.12 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.2 -32.56 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -82.01 -24.05 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -92.89 -28.19 16.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -82.26 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.7 pt -119.9 34.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.77 -41.93 3.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -65.81 -29.84 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.463 HD11 ' CE2' ' A' ' 71' ' ' TYR . 26.6 mt -66.81 -30.94 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.53 -36.91 85.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.49 -31.4 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 169.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -100.83 152.04 20.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.36 -28.13 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.79 57.24 4.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.92 139.14 14.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.23 -28.47 15.39 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.62 2.214 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -74.99 -29.68 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.53 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -59.29 -45.09 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -29.4 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.88 -42.21 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.876 HG23 HD21 ' A' ' 110' ' ' LEU . 6.6 mt -64.85 -45.66 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -58.79 -28.15 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -69.14 -33.86 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 54' ' ' ILE . 84.2 m-85 -94.49 -40.69 9.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 p -59.01 97.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.69 104.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HG12 ' A' ' 95' ' ' VAL . 31.4 mt -80.52 -50.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.71 88.87 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.83 -158.27 22.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -107.96 -67.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -177.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.64 109.82 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -135.0 149.61 50.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -100.88 96.76 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -155.35 -177.61 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.28 161.82 17.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.2 152.82 33.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.43 -33.17 2.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -69.0 -66.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.65 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.37 94.38 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 t -96.67 -40.53 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -176.69 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -60.17 -46.98 87.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.21 -31.67 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.51 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.636 ' HA ' HD11 ' A' ' 10' ' ' LEU . 2.1 m -70.93 -42.0 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.827 HG12 HD12 ' A' ' 74' ' ' ILE . 21.6 t -61.55 -36.87 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.88 -59.63 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.64 -59.4 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.37 -44.41 92.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -75.85 -33.11 60.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 22' ' ' VAL . 68.4 mt -71.55 -39.58 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.85 -30.5 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.3 t -59.82 -58.25 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -60.12 -46.66 88.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 21.2 t0 -108.31 104.41 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -69.47 -26.26 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -66.2 -31.9 73.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 106' ' ' ASP . 13.4 mt -59.98 -30.21 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG23 ' A' ' 68' ' ' ILE . 19.9 mt -59.92 -33.17 71.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.0 p -85.56 -38.52 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -97.96 101.1 12.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -79.16 -28.91 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -53.88 53.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -34.83 78.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.828 HD21 ' HB1' ' A' ' 99' ' ' ALA . 14.3 tp -64.93 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.17 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.63 -56.76 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.69 -40.41 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.34 87.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.285 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -29.58 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.75 -31.23 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.063 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.712 HG21 HG13 ' A' ' 18' ' ' VAL . 23.4 mt -88.53 -30.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -30.31 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.997 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -31.09 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.56 -46.85 77.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.82 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -31.06 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -72.43 -62.21 1.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.76 128.27 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.91 30.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.6 t -153.51 155.78 36.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 134' ' ' ARG . 46.6 p90 -73.75 -39.69 64.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.412 ' HB2' ' CE2' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -135.15 149.94 50.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.6 m -113.14 -37.23 4.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.5 p -75.7 94.62 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -139.66 84.9 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 116.47 92.75 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.06 139.48 46.9 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.557 2.172 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.7 t -123.98 -46.91 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 p -76.16 71.51 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.545 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -141.84 105.14 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 89.51 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.96 -125.1 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -105.63 -178.58 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -96.78 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.85 124.76 4.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.15 158.27 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.807 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.885 ' HB1' HD22 ' A' ' 93' ' ' LEU . . . -111.14 -60.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.1 mt -64.9 177.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.7 -175.11 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -71.15 -34.62 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.92 -49.93 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -59.75 -48.27 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.71 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 12' ' ' ALA . 3.5 mt -69.71 -40.39 76.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -49.3 78.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.608 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -66.44 -41.22 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.8 72.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.67 -31.23 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -46.69 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.6 p -56.35 -29.75 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.34 -18.45 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -46.22 8.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.1 ptp -70.62 -27.29 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.26 -61.56 6.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.517 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.612 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 18.0 Cg_endo -59.77 -42.04 49.53 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.48 2.12 . . . . 0.0 112.445 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -67.94 -29.8 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.15 156.28 88.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.55 -177.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.574 2.183 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 125.03 53.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 m -100.47 134.58 43.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 128.86 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.66 -31.45 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.14 -31.41 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.12 -49.86 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -70.36 -30.33 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.07 -47.49 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.35 -33.94 73.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -36.53 77.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 55' ' ' PHE . 10.1 mt -73.07 -30.32 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -30.6 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.6 p -86.87 -31.81 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -91.61 152.94 20.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.01 -31.57 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -79.75 -45.36 19.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -32.62 73.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.96 -29.26 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -86.41 -28.05 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -65.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 pt -129.92 36.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.316 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.63 -45.36 3.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -60.64 -29.32 69.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.5 -40.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 41' ' ' LEU . 18.6 m-85 -60.41 -50.86 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.61 175.9 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.22 -170.93 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.7 -31.16 8.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 30.95 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.52 131.08 44.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.02 -46.91 30.1 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.381 2.054 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -59.27 -25.59 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -55.8 -37.94 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -71.99 -45.41 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.66 -41.15 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.58 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 104' ' ' VAL . 38.1 mt -64.26 -40.98 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -60.3 -31.17 70.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -66.47 -55.66 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -72.22 -41.25 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.3 m -65.8 82.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.13 78.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -72.11 -30.1 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.516 ' HB3' HD21 ' A' ' 88' ' ' LEU . 67.1 m-85 -119.32 105.55 11.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.11 -162.01 14.3 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.21 -165.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -103.98 -32.88 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 117.82 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.8 m -140.26 77.16 1.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -115.77 -37.2 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -132.66 -60.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.11 -176.31 3.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -132.44 -52.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.73 -32.78 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.77 30.94 18.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.64 -37.83 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 75' ' ' TYR . 37.7 mt -62.69 161.71 11.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 90' ' ' LEU . 10.0 t -136.79 -46.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 128' ' ' THR . 5.2 tp -170.04 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.89 -51.36 70.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.494 ' CB ' HD22 ' A' ' 88' ' ' LEU . 29.2 mt-10 -61.65 -31.06 71.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.885 HD22 ' HB1' ' A' ' 9' ' ' ALA . 4.6 mt -71.37 -40.41 70.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.743 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -60.3 -50.54 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 74' ' ' ILE . 23.0 t -59.33 -28.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.41 -38.04 85.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.558 ' OE1' ' HB3' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -99.93 -31.75 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.608 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -58.71 -29.7 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.55 -30.55 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -66.9 -43.9 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -70.32 -30.9 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.627 ' HB3' HD13 ' A' ' 109' ' ' LEU . 4.1 mt -71.55 -33.13 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.68 -31.14 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.2 t -68.7 -54.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -60.0 -39.58 86.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 109' ' ' LEU . 7.1 m-20 -125.33 115.24 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.98 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' A' ' 102' ' ' LEU . 4.6 mt -60.9 -28.47 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.99 -35.01 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 p -83.56 -31.05 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -79.16 98.87 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -33.21 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.88 -30.49 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.01 -44.68 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.26 -35.17 74.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.67 -30.05 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.5 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.95 -34.08 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.31 77.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.113 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -33.77 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.86 -44.57 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 127' ' ' VAL . 23.4 mt -73.88 -32.75 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.43 -59.19 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -59.01 -29.63 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -83.32 -51.83 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.443 HG22 ' CD2' ' A' ' 90' ' ' LEU . 39.8 p -58.04 -35.91 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -79.81 -69.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -75.62 91.19 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 -68.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.08 133.82 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -127.14 134.99 50.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.38 136.72 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.7 p -70.55 -179.89 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.0 m 59.87 93.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.2 m -138.59 -174.09 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 134.84 -97.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.77 157.58 47.77 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.505 2.136 . . . . 0.0 112.236 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 p -158.38 110.26 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 p -162.33 174.71 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.559 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -154.65 99.95 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m 60.4 92.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.62 -118.47 5.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.53 129.64 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -88.15 -178.92 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.01 -104.75 2.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.73 -178.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.82 160.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 94' ' ' THR . 82.1 mt -71.81 -179.38 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.39 166.81 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -30.79 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.25 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.66 83.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.69 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -31.11 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.705 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -73.43 -45.41 54.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.16 -31.04 43.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.23 58.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.22 -31.3 16.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HB2' HG21 ' A' ' 123' ' ' ILE . 27.3 m -73.74 -38.61 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 23' ' ' GLU . 11.2 p -59.34 -30.11 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.582 ' HG3' HG13 ' A' ' 22' ' ' VAL . 36.0 mt-10 -92.44 -15.8 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -29.24 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptp -88.9 -26.25 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.3 -53.08 65.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.381 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 60.5 Cg_exo -51.72 -42.91 54.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 0.0 112.298 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -73.63 -31.84 63.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.555 HD11 HD22 ' A' ' 119' ' ' LEU . 37.1 mt -74.32 152.82 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 140.56 40.75 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.531 2.154 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.2 p -119.34 148.24 43.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.91 155.16 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.08 -30.52 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.43 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.44 -39.52 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -83.18 -26.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -56.79 -51.25 69.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -31.42 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 mt -65.9 -31.59 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.825 HD11 ' CD2' ' A' ' 55' ' ' PHE . 54.4 mt -83.07 -29.48 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -24.41 58.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 40' ' ' LEU . 5.5 t -80.36 -35.07 35.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.87 136.78 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.1 -30.98 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -74.35 -40.21 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 mt -67.46 -49.8 61.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.33 75.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.66 -19.72 65.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -66.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.242 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 pt -124.36 45.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.05 -26.57 10.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -71.59 -30.1 65.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 71' ' ' TYR . 15.3 mt -67.32 -34.91 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.825 ' CD2' HD11 ' A' ' 41' ' ' LEU . 34.5 m-85 -63.85 -31.13 72.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.44 -31.45 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.92 144.1 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -76.55 157.78 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.91 -31.39 66.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.69 -30.91 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.99 109.79 2.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -26.8 32.24 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.71 -30.24 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -43.36 93.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.52 -31.0 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -81.81 -35.86 29.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.98 -42.79 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.632 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -71.74 -49.88 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -59.88 -31.26 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -63.55 -44.26 94.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 54' ' ' ILE . 62.5 m-85 -80.52 -31.62 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -69.56 87.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.33 99.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.73 -32.03 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CE1' HG11 ' A' ' 95' ' ' VAL . 15.1 m-85 -96.77 41.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.87 -153.72 16.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -169.46 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 70' ' ' LYS . 31.9 p90 -115.2 -42.27 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -146.05 89.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.0 t -138.8 76.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.27 101.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -120.58 161.73 20.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 29.91 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -177.37 37.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.41 28.64 3.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.34 74.3 2.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 -31.52 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HG ' ' A' ' 93' ' ' LEU . 25.6 mt -60.69 176.18 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 90' ' ' LEU . 3.1 t -131.87 -50.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 89' ' ' THR . 3.3 tp -177.35 -59.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.612 ' O ' HG23 ' A' ' 95' ' ' VAL . 12.5 t-80 -57.94 -29.56 65.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -74.25 -38.83 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' HD12 ' A' ' 88' ' ' LEU . 5.1 mt -73.86 -30.49 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.503 ' HA ' HD11 ' A' ' 10' ' ' LEU . 6.7 m -63.85 -40.83 97.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -58.29 -45.54 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -59.93 -50.66 72.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.38 -45.46 79.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.21 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.734 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -58.98 -29.12 66.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.279 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.72 -58.91 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.212 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.63 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -64.78 -55.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.234 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -59.44 -31.3 69.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 109' ' ' LEU . 1.6 m-20 -133.99 109.26 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -68.98 -30.51 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.3 -27.95 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 HD12 ' A' ' 119' ' ' LEU . 10.6 mt -64.97 -28.59 69.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.632 HD21 HG23 ' A' ' 68' ' ' ILE . 11.9 mt -57.84 -34.06 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 p -82.54 -34.41 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -89.98 113.12 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.62 -35.3 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.89 60.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.91 -43.6 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.734 HD21 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -75.36 -33.95 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -61.51 -30.51 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.13 -42.59 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.611 HD12 HD21 ' A' ' 109' ' ' LEU . 39.7 mt -59.88 -46.36 89.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.58 79.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -63.41 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -55.47 34.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 127' ' ' VAL . 43.2 mt -72.04 -26.1 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.29 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.417 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.6 m -56.11 -30.19 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -85.29 -32.01 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -36.4 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.705 HG22 ' HB3' ' A' ' 17' ' ' SER . 21.6 t -71.15 -38.38 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.2 m -80.52 -33.98 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CD2' ' HG3' ' A' ' 130' ' ' LYS . 32.8 t80 -60.54 -52.59 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 129' ' ' TYR . 57.6 mttt -125.51 161.56 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -152.99 -51.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.9 t -176.56 157.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -113.79 87.77 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -140.68 -55.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.5 m -111.12 -31.93 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.4 p 49.74 91.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.8 p -152.54 78.11 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -89.28 -65.71 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 -54.01 5.94 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.62 2.213 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.8 t -90.07 157.24 17.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.7 p -158.48 135.2 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.504 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -115.29 -61.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -70.54 -54.84 10.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.22 -128.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.96 -66.23 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.68 31.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.0 105.35 1.67 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.47 137.25 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.12 180.0 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.0 mt -69.22 176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -104.42 178.93 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.24 72.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -47.73 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -59.86 -30.36 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.29 -33.86 32.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.84 -31.24 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -62.91 -33.75 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ALA . 26.3 t -72.79 -42.89 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.11 -29.89 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.62 -34.64 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -77.07 -38.26 52.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 102' ' ' LEU . 10.8 p -56.76 -27.78 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.92 -16.33 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.315 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -26.75 23.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.743 0.306 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.451 ' CE ' HD11 ' A' ' 123' ' ' ILE . 15.3 ptp -86.62 -22.82 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -62.36 -53.41 58.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 111.319 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.4 -45.54 39.05 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.522 2.148 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -68.16 -34.0 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.967 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.15 160.24 17.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.07 171.98 12.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -65.33 146.73 54.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 123.55 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.36 152.94 50.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD23 ' HD1' ' A' ' 55' ' ' PHE . 1.4 mp -71.49 -35.23 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -62.53 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.88 -38.71 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.4 m -89.9 -26.41 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.74 77.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -60.22 -30.83 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -31.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 18.1 mt -80.53 -30.73 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -73.5 -25.07 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -32.95 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -105.7 163.91 12.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -113.49 -36.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -62.75 -39.02 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.23 -45.89 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.11 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -74.64 -30.49 61.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.8 ttt -66.54 -66.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 pt -138.94 30.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.16 -35.98 41.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.418 ' CD2' HG13 ' A' ' 54' ' ' ILE . 18.7 p-80 -63.85 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 53' ' ' HIS . 40.2 mt -70.46 -32.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.525 ' HD1' HD23 ' A' ' 34' ' ' LEU . 25.4 m-85 -68.31 -40.91 81.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -77.23 -29.88 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 168.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 152.48 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.36 30.26 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.6 38.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.98 161.59 22.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.58 -29.39 30.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.17 -32.43 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.804 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -62.42 -35.18 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.52 -30.63 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.31 -30.13 69.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 64' ' ' LYS . 20.2 mt -93.14 -41.46 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -60.34 -26.11 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.32 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.78 -34.72 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 p -74.53 92.81 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.67 97.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mt -75.02 -52.43 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 92' ' ' GLU . 89.9 m-85 -97.43 126.18 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.12 -160.3 14.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.429 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.99 -175.12 5.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -79.14 -46.8 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.91 165.56 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.49 33.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -73.16 -32.7 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -83.06 173.1 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -117.99 -42.49 2.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.5 -78.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 173.56 -68.55 0.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -147.76 140.96 25.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.2 138.58 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.791 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.0 mt 60.41 163.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -176.13 75.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 93' ' ' LEU . 9.6 tt 66.48 -71.52 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.738 ' HB3' HD23 ' A' ' 88' ' ' LEU . 7.2 mp0 -58.97 -30.82 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 90' ' ' LEU . 84.5 mt -68.29 -30.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.478 ' HA ' HD11 ' A' ' 10' ' ' LEU . 9.4 m -76.05 -40.24 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.04 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.99 -45.94 72.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.47 -26.89 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -55.81 -31.56 62.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -96.93 -29.66 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.92 -33.71 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.26 -31.46 38.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 22' ' ' VAL . 3.3 mt -68.07 -38.68 82.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.29 -31.11 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.1 t -61.62 -53.72 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -62.17 -52.86 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.07 103.49 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -28.23 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.24 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.64 -25.72 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.85 -30.82 62.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.2 p -80.44 -31.35 37.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -92.77 97.5 10.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -41.9 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.85 -54.55 40.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -33.7 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' A' ' 99' ' ' ALA . 14.2 tp -73.79 -31.52 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -80.46 -30.7 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.08 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -48.83 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -59.19 -30.5 68.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -30.64 63.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.13 -35.93 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 127' ' ' VAL . 34.9 mt -74.92 -32.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.403 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.7 m -60.31 -54.56 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -31.42 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.39 -34.6 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -81.82 -37.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -74.04 -32.65 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -73.91 -60.41 2.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 137.52 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.87 -45.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 132' ' ' THR . 6.1 m 64.36 18.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -129.83 89.91 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.95 -65.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.7 -176.21 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m 60.8 84.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.8 p -161.49 158.43 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.8 -90.55 0.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.07 -28.18 24.07 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.52 2.147 . . . . 0.0 112.283 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.4 m 60.62 167.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.9 p -73.8 -40.42 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.502 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -127.13 31.48 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.11 -37.04 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.11 -74.18 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -70.56 135.88 48.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.68 84.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.18 -144.6 27.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.77 144.81 16.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.55 172.54 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.781 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.6 mt -61.7 -179.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 -167.95 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.0 -29.68 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.23 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.45 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.97 -32.5 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.654 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.8 OUTLIER -60.76 -36.82 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.5 t -78.55 -37.32 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.5 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.88 -30.12 24.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.014 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -46.35 15.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.4 p -55.53 -28.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.281 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.14 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 28' ' ' THR . 29.4 mtt180 -90.22 -32.98 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.085 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ptp -85.37 -26.68 26.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.6 -61.66 6.84 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.508 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 26.6 Cg_endo -62.39 -38.77 50.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.573 2.182 . . . . 0.0 112.539 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.2 p -70.56 -30.34 67.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.41 145.04 75.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.17 146.67 41.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 160.41 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.71 167.92 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' OD2' HG13 ' A' ' 37' ' ' VAL . 5.5 p-10 -65.95 109.16 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.59 -27.67 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -76.17 -45.25 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -47.43 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG13 ' OD2' ' A' ' 33' ' ' ASP . 14.0 m -59.23 -30.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -39.37 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.71 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 48' ' ' ALA . 96.2 mt -70.92 -44.13 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -27.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.5 p -88.53 -33.65 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.58 174.6 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -132.59 -46.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.13 -51.26 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -31.22 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -71.04 -27.85 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -90.45 -27.07 19.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.77 -59.67 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 110' ' ' LEU . 11.9 pt -135.98 28.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.78 -39.36 7.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -59.25 -29.05 67.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 mt -72.48 -34.04 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 4.5 m-85 -60.74 -49.77 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -72.89 -25.34 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.0 162.27 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.38 176.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.99 -31.27 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -101.02 33.36 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.75 140.39 21.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.17 -34.43 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.515 2.143 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -60.23 -27.54 67.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.65 -45.58 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.27 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.43 -31.64 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.13 -38.13 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.699 HG23 HD21 ' A' ' 110' ' ' LEU . 11.3 mt -77.92 -34.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -64.31 -31.39 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.39 -55.15 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -66.86 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -69.14 71.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.79 101.78 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.4 mt -102.76 -31.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 92' ' ' GLU . 24.3 m-85 -112.44 120.76 42.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.49 -36.04 4.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 60.36 -163.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -94.8 -29.77 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -131.64 25.53 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.93 97.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.019 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -111.47 -33.28 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -74.84 104.92 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -122.64 90.1 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -147.02 32.32 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.01 36.92 50.83 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -138.68 104.59 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -106.03 177.94 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 92' ' ' GLU . 12.5 mt -85.89 99.43 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -98.98 -42.08 7.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.627 HD11 ' CZ ' ' A' ' 131' ' ' TYR . 17.0 tp -176.25 -64.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 95' ' ' VAL . 13.8 t-160 -59.98 -31.09 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -67.12 -48.01 69.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.03 -30.88 69.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.781 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.76 -37.29 87.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -69.16 -30.65 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -62.92 -55.55 24.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.602 ' HB2' HD12 ' A' ' 10' ' ' LEU . 5.4 mt-10 -79.22 -22.36 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -54.6 -45.95 73.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.81 24.99 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.07 -34.13 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.037 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.25 -30.94 16.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 22' ' ' VAL . 40.8 mt -60.01 -42.23 93.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -59.88 -34.61 73.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.36 -42.62 94.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -72.17 -35.79 69.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -131.08 103.7 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 1.9 t30 -63.53 -29.7 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.0 -29.09 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 116' ' ' LEU . 13.7 mt -62.54 -28.78 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 68' ' ' ILE . 54.0 mt -58.92 -34.28 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.2 p -82.53 -30.53 29.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -103.54 103.14 13.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -77.48 -31.61 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.7 -52.64 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.02 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.551 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 20.2 tp -76.84 -30.83 56.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE2' HG21 ' A' ' 74' ' ' ILE . 2.9 t80 -71.07 -40.67 71.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.21 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.76 -30.6 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -73.74 -37.33 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -75.84 -30.28 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -62.16 -30.22 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.1 mt -95.53 -30.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 m -59.22 -31.11 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -80.19 -31.12 38.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -31.52 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 17' ' ' SER . 21.5 t -77.68 -37.55 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 m -71.16 -29.66 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -58.79 -66.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 59.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.627 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 1.5 t80 -90.89 -60.35 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.49 110.3 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -67.1 143.82 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -172.21 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 74.5 p -81.37 109.59 16.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 51.3 p -60.34 -34.61 74.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.18 76.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.94 95.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.23 107.06 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.577 2.185 . . . . 0.0 112.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -71.48 161.89 30.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.85 -66.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.462 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.556 -0.217 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.97 141.71 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 60.45 175.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.97 159.51 27.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.23 -52.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m 60.47 176.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.55 -104.66 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -176.36 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.726 ' CB ' HD22 ' A' ' 93' ' ' LEU . . . -103.66 -75.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 94' ' ' THR . 77.1 mt -74.82 -179.64 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -109.94 -176.43 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.31 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.99 -42.39 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -31.02 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -29.36 63.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.79 88.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -60.54 -35.86 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.83 -30.06 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.19 -31.17 21.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -79.0 -31.82 44.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.34 -45.96 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.83 -27.98 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.0 -19.67 40.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.319 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -91.17 -29.78 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.218 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.511 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.5 ptp -88.58 -29.18 20.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.99 -53.13 68.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.7 Cg_exo -52.95 -30.75 49.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.469 2.113 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -87.81 -33.96 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.95 149.34 97.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.86 177.41 5.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.51 2.14 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 124.4 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.5 p -82.93 117.88 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.97 128.1 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HA ' HG22 ' A' ' 37' ' ' VAL . 2.0 mp -71.28 -29.57 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.45 -31.55 69.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 -57.78 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 55' ' ' PHE . 31.5 m -59.79 -30.71 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -60.98 -50.43 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -30.47 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER -69.8 -51.61 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 55' ' ' PHE . 21.5 mt -64.11 -36.92 85.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.95 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 40' ' ' LEU . 8.9 t -97.43 -33.04 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.92 149.79 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -114.48 -37.44 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -67.33 -44.09 79.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.91 -39.57 55.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.37 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -82.83 -27.19 31.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 ttt -82.74 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.49 45.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.197 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.83 -26.67 6.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -65.72 -29.46 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.8 mt -66.01 -50.6 68.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 37' ' ' VAL . 83.5 m-85 -60.28 -37.38 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.94 -31.39 66.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 ttp -66.87 169.64 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -63.48 176.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.82 -31.6 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.62 31.55 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.74 142.97 25.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.69 -26.79 27.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.509 2.139 . . . . 0.0 112.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -59.89 -34.35 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' HD11 ' A' ' 68' ' ' ILE . 4.2 tttp -56.09 -46.75 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.77 -30.31 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.05 -37.41 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.49 -42.59 78.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 104' ' ' VAL . 17.8 mt -71.27 -41.37 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.85 -26.65 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.68 -44.7 40.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -80.08 -40.22 28.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.3 p -70.06 93.53 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.501 ' HB1' ' OD1' ' A' ' 96' ' ' ASN . . . -157.06 -48.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt 69.66 -65.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 88' ' ' LEU . 86.8 m-85 -85.81 134.4 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.33 131.22 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 170.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -57.32 -40.57 78.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -99.91 -176.34 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 m -162.96 107.73 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -128.78 -66.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -69.71 161.35 29.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.13 -65.13 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.92 -68.71 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.17 67.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.597 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.0 tttm 60.53 178.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -154.21 -56.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.036 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 75' ' ' TYR . 27.0 mt -102.55 115.52 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.1 p -83.69 -166.6 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.18 -30.4 58.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 95' ' ' VAL . 17.5 t-80 -85.22 -41.57 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -64.24 -32.95 74.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.726 HD22 ' CB ' ' A' ' 9' ' ' ALA . 12.4 mt -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.57 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.4 m -74.5 -29.94 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' A' ' 75' ' ' TYR . 35.7 t -71.1 -30.25 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.501 ' OD1' ' HB1' ' A' ' 73' ' ' ALA . 0.2 OUTLIER -66.41 -31.22 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 -30.74 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.96 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.05 20.82 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.337 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.0 -37.38 9.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -83.14 -31.01 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.429 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -69.92 -42.03 73.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 116' ' ' LEU . 1.3 m -60.1 -31.51 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.577 ' HA ' HD13 ' A' ' 68' ' ' ILE . 29.8 t -61.69 -46.23 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.28 -37.76 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.598 ' HB2' HD12 ' A' ' 109' ' ' LEU . 54.4 m-20 -114.86 100.55 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.416 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -66.83 -29.35 69.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.82 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.632 HD21 HD12 ' A' ' 119' ' ' LEU . 10.5 mt -59.63 -33.59 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.54 -30.02 68.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -84.62 -31.04 24.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -102.17 114.19 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -87.77 -33.01 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.72 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.37 -50.57 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.66 HD11 ' HB1' ' A' ' 99' ' ' ALA . 25.1 tp -61.83 -35.34 77.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.42 -30.82 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.227 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.632 HD12 HD21 ' A' ' 109' ' ' LEU . 56.9 mt -71.69 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -67.46 -37.15 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -30.85 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -60.63 -38.27 84.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.3 mt -92.27 -33.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -63.47 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -89.87 -30.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.73 -41.43 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -65.41 -56.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -30.92 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -60.07 -61.4 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.66 116.6 12.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -166.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.16 177.99 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.77 159.87 33.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -141.99 -61.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 t -158.61 -46.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.2 p -137.43 112.24 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.6 p -102.7 -43.77 5.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 154.34 89.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.19 -26.07 36.51 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.622 2.214 . . . . 0.0 112.278 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.3 m -68.73 97.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.73 -54.12 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.455 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -70.43 171.17 10.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -127.53 -47.61 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.77 -121.47 0.18 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -132.17 123.64 27.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -173.52 106.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 -53.59 4.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -62.22 -179.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.737 ' CB ' HD22 ' A' ' 93' ' ' LEU . . . -157.5 -56.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' A' ' 94' ' ' THR . 2.7 mt -63.41 176.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 179.46 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.11 98.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -55.43 25.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -63.03 -47.06 84.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.0 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.07 -41.81 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 t -61.97 -33.04 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.8 t -68.1 -37.07 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.08 -34.75 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.35 -49.24 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -59.46 -42.55 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.5 mm-40 -69.9 -16.25 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 28' ' ' THR . 2.3 mmt-85 -85.81 -42.31 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 123' ' ' ILE . 3.4 ptp -77.5 -25.0 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.25 -57.17 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.577 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.8 Cg_endo -65.42 -29.67 53.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.421 2.081 . . . . 0.0 112.628 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 24' ' ' ARG . 14.4 p -78.68 -29.51 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.09 150.11 51.68 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.32 173.94 10.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.585 2.19 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -177.14 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.39 170.7 15.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.85 131.07 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -83.98 -28.95 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -57.8 -30.55 65.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.19 -46.64 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.65 -28.59 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -48.09 79.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.88 -31.05 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.33 -44.25 75.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 55' ' ' PHE . 58.5 mt -60.93 -39.23 88.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 p -95.62 -33.63 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.58 111.23 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -75.01 -37.4 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.26 -37.5 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.22 -28.03 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.53 -59.46 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.83 HD11 HG22 ' A' ' 111' ' ' THR . 16.7 pt -134.33 36.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.291 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.35 -27.66 17.27 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.51 -28.55 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.6 -31.24 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.458 ' CD2' HD11 ' A' ' 41' ' ' LEU . 39.6 m-85 -66.37 -39.72 89.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.34 -29.1 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 156.3 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -72.08 -178.24 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.48 39.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.87 107.37 57.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.3 -33.29 28.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.479 2.119 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -44.53 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.66 -34.81 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.6 -40.92 55.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 103' ' ' CYS . 21.7 mt -68.27 -47.01 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.33 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -70.18 -59.46 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -65.67 -33.58 76.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -90.9 79.74 5.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.85 -51.11 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.3 mt 69.68 -66.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 92' ' ' GLU . 95.1 m-85 -85.04 96.45 9.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.63 -132.28 10.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.03 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 51.2 p90 -174.19 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.2 t70 -65.99 159.14 26.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.2 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -120.93 112.88 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -95.32 72.09 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -95.09 -37.43 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 60.21 105.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.6 -28.06 2.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -170.31 142.41 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.661 ' O ' HD23 ' A' ' 88' ' ' LEU . 1.6 t60 -174.06 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 87' ' ' HIS . 28.5 mt -148.07 133.77 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 t -114.04 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp 69.51 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 95' ' ' VAL . 35.4 t60 -50.87 -27.47 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.634 ' HB3' HD22 ' A' ' 88' ' ' LEU . 21.1 mt-10 -80.43 -29.23 37.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.737 HD22 ' CB ' ' A' ' 9' ' ' ALA . 43.0 mt -75.19 -34.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.7 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -62.46 -48.36 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -58.13 -28.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.17 -56.87 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.42 -28.47 56.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.41 -50.14 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.274 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.87 -28.44 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.215 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.46 -57.98 10.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.239 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -59.71 -32.98 71.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 109' ' ' LEU . 16.2 mt -66.08 -46.41 77.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 m -60.33 -35.24 75.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -61.21 -51.77 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -62.91 -34.2 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -130.96 112.27 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -29.73 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.57 70.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 102' ' ' LEU . 11.8 mt -59.04 -29.24 67.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.55 -45.52 85.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.83 HG22 HD11 ' A' ' 51' ' ' ILE . 69.6 p -71.68 -32.21 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.68 115.0 23.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -93.99 -32.2 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -69.71 -49.43 53.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -35.2 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 99' ' ' ALA . 44.0 tp -76.08 -38.26 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -66.53 -26.41 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.64 -53.2 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.05 -50.14 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.92 52.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -58.68 -29.4 66.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.48 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.015 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.498 HD11 ' CE ' ' A' ' 25' ' ' MET . 33.3 mt -73.17 -32.62 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -64.08 -29.4 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -76.01 -35.17 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -49.6 73.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.554 HG12 ' HE2' ' A' ' 131' ' ' TYR . 21.5 t -61.63 -44.23 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.6 m -64.33 -24.57 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.02 -62.9 1.36 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.46 139.46 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.554 ' HE2' HG12 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -177.07 111.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.04 127.59 34.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.54 113.62 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -90.08 88.38 7.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -128.17 131.28 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.3 p -101.74 81.35 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.9 m -148.74 30.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 166.52 61.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.94 -36.01 8.33 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.549 2.166 . . . . 0.0 112.344 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.83 -173.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.2 m 60.31 178.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.484 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.63 36.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m 60.52 31.41 20.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.15 -148.25 4.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -135.19 160.17 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.0 -56.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.76 103.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -129.47 -177.59 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.19 -176.28 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 94' ' ' THR . 57.4 mt -61.14 -179.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.33 177.85 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.724 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -77.64 -30.62 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.24 -44.55 16.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.39 -48.38 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.61 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -60.33 -39.49 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -31.02 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -70.8 -55.93 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -30.17 67.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.43 -37.57 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.05 -46.27 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.16 -29.88 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.1 -14.09 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.64 -28.03 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.632 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.6 ptp -88.31 -30.71 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -60.23 -53.25 66.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.5 Cg_exo -54.15 -47.7 25.59 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.509 2.14 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -70.95 -33.35 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 29' ' ' LEU . 12.6 mt -62.32 132.88 94.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 -178.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.47 2.114 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -118.93 162.52 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -125.11 140.61 52.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.09 108.72 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.69 -30.89 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -60.18 -30.88 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.69 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.63 -29.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.2 -50.55 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -31.17 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.36 -44.07 59.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -29.6 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 p -90.35 -31.44 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.33 101.22 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -30.97 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -58.86 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.85 -38.65 91.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -84.24 -29.98 26.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -66.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.651 HD11 HG22 ' A' ' 111' ' ' THR . 8.4 pt -130.15 45.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.68 -27.15 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.94 -29.22 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 0.0 110.984 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.5 mt -69.63 -30.65 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 19.4 m-85 -62.86 -42.39 99.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.87 -30.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 127.04 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.41 153.66 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -62.99 -26.52 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.99 51.81 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 1.2 t70 -135.24 99.02 12.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.75 -24.18 12.76 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.394 2.063 . . . . 0.0 112.449 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -68.82 -27.59 65.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.29 -36.07 65.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.96 -30.17 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -78.5 -36.08 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.25 -47.64 41.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.777 HD11 ' HD2' ' A' ' 64' ' ' LYS . 4.5 mt -66.09 -43.32 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.254 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -68.4 -41.31 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -59.23 -38.5 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -88.71 -31.56 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -64.51 94.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.59 128.29 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.2 mt -119.37 -37.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 -97.41 -45.2 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.006 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.6 85.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.37 168.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.968 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 79' ' ' ASP . 54.7 p90 -78.62 -41.11 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 10.4 t70 -118.79 163.17 17.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.07 144.51 57.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.74 123.76 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 94.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -74.11 141.45 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.11 -48.8 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.75 -39.0 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -143.74 151.31 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -167.5 -63.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 92' ' ' GLU . 5.4 mt -138.61 160.95 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.2 t -132.99 -53.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.408 ' H ' HG23 ' A' ' 89' ' ' THR . 1.3 tp -168.32 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -61.25 -30.74 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 88' ' ' LEU . 28.5 mt-10 -75.42 -29.87 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' HD13 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -77.4 -39.73 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.649 ' HA ' HD11 ' A' ' 10' ' ' LEU . 8.0 m -59.24 -31.15 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.9 t -64.44 -55.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -59.77 -43.02 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -54.75 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.0 79.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.66 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -79.73 -43.82 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -60.45 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.632 HD21 ' SD ' ' A' ' 25' ' ' MET . 14.9 mt -74.98 -41.47 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.96 -31.55 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.4 t -64.24 -51.21 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -53.93 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -114.08 112.58 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -67.4 -27.82 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.91 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.218 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.0 mt -57.21 -28.69 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.15 -30.44 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 51' ' ' ILE . 70.7 p -80.42 -39.3 28.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -84.31 122.97 29.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.81 -31.22 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.83 -43.16 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -65.98 -44.69 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.47 -30.01 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.87 -29.54 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.28 -32.17 33.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.6 -48.06 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.2 68.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.8 -30.15 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.864 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.1 mt -89.95 -35.0 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -61.02 -30.16 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -37.86 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.84 -43.71 67.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 123' ' ' ILE . 32.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.1 m -96.37 -23.15 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -57.18 -46.76 82.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.113 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 -37.41 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.119 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.6 t80 64.03 104.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.1 m 62.19 150.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.51 90.8 6.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.38 150.23 45.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.8 t -132.27 174.27 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.0 p -89.18 53.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 74.1 m -113.08 -62.47 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 138.38 101.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.569 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.52 102.43 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.457 2.105 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.2 m 60.92 31.57 19.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.8 t -114.48 -66.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -74.68 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -124.5 33.42 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.14 -55.76 0.5 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -158.39 -47.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -87.44 89.82 8.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.24 46.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.17 139.08 53.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.64 -170.56 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 94' ' ' THR . 84.1 mt -59.34 163.65 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -82.66 -177.99 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.22 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.95 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.43 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.98 85.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -40.7 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.4 t -70.88 -48.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -65.12 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -34.5 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -48.33 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 11.2 p -59.47 -32.51 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -23.66 58.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.82 -48.73 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.691 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.8 ptp -69.51 -27.0 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.6 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.29 -61.31 6.85 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.593 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.6 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 19.2 Cg_endo -60.4 -42.65 39.59 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.555 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -29.42 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.61 133.83 94.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.751 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.85 -168.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.525 2.15 . . . . 0.0 112.397 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -131.39 157.97 42.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 163.27 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.6 131.07 35.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.0 -30.69 67.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.91 -38.31 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.71 -54.11 40.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 40' ' ' LEU . 15.5 m -58.9 -29.51 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -59.01 -46.14 88.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.34 -30.84 71.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 mt -59.64 -34.16 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.9 mt -81.17 -35.62 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -63.44 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 40' ' ' LEU . 6.5 t -81.15 -32.3 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.644 ' CB ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -96.24 162.37 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.98 -32.17 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -35.1 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD12 ' CB ' ' A' ' 44' ' ' ASN . 22.5 mt -71.6 -40.29 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -23.55 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.68 -29.82 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.084 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.4 ttp -80.09 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.2 pt -124.05 37.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.69 -27.35 22.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.1 p-80 -76.2 -31.54 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 51' ' ' ILE . 7.5 mt -64.2 -37.45 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.737 ' CD2' HD11 ' A' ' 41' ' ' LEU . 26.0 m-85 -68.0 -31.39 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -82.34 -32.92 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.7 166.42 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -169.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.05 31.44 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.27 30.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.87 141.69 23.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 -27.93 25.24 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -78.18 -28.25 48.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HG2' HD11 ' A' ' 68' ' ' ILE . 68.8 tttt -57.57 -45.26 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.83 -31.92 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.02 -45.25 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.19 -41.03 94.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 64' ' ' LYS . 15.0 mt -71.39 -33.4 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -76.34 -43.39 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.05 -35.74 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -81.62 -31.09 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 87.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.59 118.34 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 117' ' ' PHE . 4.6 mt -112.07 -34.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 92' ' ' GLU . 26.8 m-85 -103.87 -58.94 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.0 145.45 15.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -162.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -98.19 -29.39 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.2 137.6 33.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -76.24 151.78 36.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -109.63 -23.54 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.71 80.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.8 -65.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.32 28.97 21.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.04 153.25 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.08 98.72 8.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.605 HD13 ' HG ' ' A' ' 93' ' ' LEU . 1.8 mt 60.55 -178.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 t -127.69 -51.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp -176.31 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 3.7 t60 -58.35 -50.71 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 75' ' ' TYR . 15.5 mp0 -60.23 -30.47 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.605 ' HG ' HD13 ' A' ' 88' ' ' LEU . 4.7 mt -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.89 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 91' ' ' HIS . 31.8 t -70.05 -45.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.2 -31.25 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.52 -34.56 18.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -60.37 -36.74 78.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.37 24.03 6.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.277 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.55 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.91 -34.04 45.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.691 HD21 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.07 -31.02 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.05 -49.47 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -65.36 -50.42 65.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.37 106.62 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.64 -25.15 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.58 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.91 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 68' ' ' ILE . 7.6 mt -57.55 -37.82 73.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.6 p -81.18 -31.84 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -93.84 104.18 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -85.63 -33.2 21.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -82.99 -35.59 25.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.797 HD11 ' HB1' ' A' ' 99' ' ' ALA . 30.7 tp -73.1 -47.49 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CD1' HG21 ' A' ' 74' ' ' ILE . 25.7 t80 -60.19 -30.74 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.7 72.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.73 -40.18 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.27 -30.49 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.79 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -35.25 76.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 29.0 mt -79.68 -38.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.54 -30.61 69.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -76.7 -29.86 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.66 -43.55 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -60.1 -30.86 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.9 m -77.98 -28.03 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -57.11 -67.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 102.9 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.16 -75.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.13 151.11 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -94.95 -32.07 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.01 146.5 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.1 m -119.6 151.76 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 157.24 33.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.27 -177.81 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -137.44 168.32 24.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 -176.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.594 2.196 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.4 m -80.6 79.79 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.5 m -112.59 -57.07 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.557 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -134.87 166.72 22.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -120.9 156.41 32.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 -146.6 10.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.458 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -114.77 87.15 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -77.84 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.06 104.92 0.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -141.54 134.6 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -167.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 94' ' ' THR . 44.5 mt -58.91 172.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -113.93 176.97 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.66 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.03 -31.86 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -49.14 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 m -60.47 -30.0 69.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 14' ' ' ALA . 28.5 t -73.17 -30.32 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.6 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.23 -33.7 37.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.31 -45.82 37.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.3 p -58.49 -28.94 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.79 -19.53 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -84.03 -26.72 28.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.561 ' SD ' HD21 ' A' ' 102' ' ' LEU . 10.0 ptp -86.63 -25.65 24.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.302 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.83 -53.68 60.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 63.2 Cg_exo -51.29 -32.91 43.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.547 2.165 . . . . 0.0 112.372 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -86.2 -31.02 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 26' ' ' ALA . 25.5 mt -59.43 147.9 75.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.45 153.77 60.74 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.529 2.153 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -68.26 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -84.02 -179.96 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.67 141.8 27.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.44 -30.92 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -42.98 65.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.85 -31.59 69.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.9 m -86.52 -28.99 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -58.15 -46.74 85.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.84 -25.58 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.87 -10.04 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.761 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.4 mt -93.69 -65.81 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.754 0.311 . . . . 0.0 111.118 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -23.34 16.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.479 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.3 t -80.11 -32.08 39.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.347 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -97.08 175.87 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -122.06 -42.61 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -63.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.56 -40.45 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' LEU . . . -61.5 -26.95 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -93.49 -38.26 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 ttt -66.4 -66.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HB3' ' A' ' 110' ' ' LEU . 2.3 pt -129.16 38.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -90.76 -28.63 15.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -75.36 -27.62 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.698 HD11 ' CE2' ' A' ' 71' ' ' TYR . 40.9 mt -66.02 -38.78 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 41' ' ' LEU . 41.3 m-85 -65.04 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.32 -28.19 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.33 174.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -170.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -125.9 71.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.34 144.16 41.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.05 -39.76 84.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -64.63 -29.45 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.35 -53.12 61.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -65.19 -30.7 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.69 -30.12 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -81.3 -45.46 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 64' ' ' LYS . 8.9 mt -66.25 -44.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -59.62 -31.22 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.69 -37.34 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 54' ' ' ILE . 17.3 m-85 -78.41 -46.29 20.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -69.1 77.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.44 89.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.425 HD13 ' HD1' ' A' ' 117' ' ' PHE . 2.8 mt -63.41 -39.23 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -111.13 -177.13 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.86 148.92 0.97 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -169.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -160.92 37.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -160.46 102.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.8 p -70.97 84.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -134.08 -46.0 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -115.9 160.98 19.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -79.34 119.92 23.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -148.24 104.26 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.2 37.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.57 31.07 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.49 -31.74 8.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mt -115.82 138.51 51.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 t -136.15 -51.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -167.86 -66.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.764 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -61.41 -31.85 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.21 -48.27 73.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.84 -38.68 91.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.769 ' HA ' HD21 ' A' ' 10' ' ' LEU . 1.2 m -62.78 -28.87 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.1 t -90.5 -30.92 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.243 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -62.67 -52.14 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -27.28 42.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.146 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -56.07 -29.88 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.403 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -91.38 -22.2 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.378 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.25 -39.86 73.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.286 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -81.6 -31.42 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.561 HD21 ' SD ' ' A' ' 25' ' ' MET . 3.0 mt -68.73 -31.17 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.4 m -75.7 -30.92 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 100' ' ' ALA . 27.4 t -64.63 -65.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -59.15 -30.62 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -120.08 105.26 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -29.88 62.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.45 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 102' ' ' LEU . 6.2 mt -65.17 -29.75 70.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.581 HD21 HG23 ' A' ' 68' ' ' ILE . 14.3 mt -58.19 -31.21 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.82 -34.23 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -92.49 82.89 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -69.57 -31.32 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -46.97 78.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.444 HD11 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -66.96 -42.27 85.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HD1' HD13 ' A' ' 74' ' ' ILE . 60.9 t80 -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.42 -47.41 56.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.98 -45.18 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -60.12 -29.57 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.264 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -79.2 -30.0 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.01 -30.6 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 127' ' ' VAL . 25.7 mt -77.92 -30.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.483 ' HA ' HG22 ' A' ' 94' ' ' THR . 47.6 p -69.32 -29.76 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -80.39 -30.58 37.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.0 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -34.89 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 123' ' ' ILE . 26.9 t -70.28 -48.29 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.8 p -57.69 -30.08 65.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -75.76 -50.83 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -68.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.1 t80 62.28 44.52 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.7 p -70.49 168.73 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.05 -75.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.02 -179.93 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.85 -47.38 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.8 t -161.13 106.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.8 t -144.36 90.64 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.34 161.74 37.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 110.03 2.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.252 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 m -120.36 -46.45 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.37 31.36 20.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.527 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.18 -46.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -110.89 -63.78 1.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.99 -33.91 1.45 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.11 107.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -146.01 -54.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.17 115.48 1.94 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.04 174.16 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . . . -63.58 -52.23 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt -68.74 -177.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.9 -176.29 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.56 -30.68 63.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.97 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB2' ' OH ' ' A' ' 131' ' ' TYR . . . -76.68 -30.69 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.17 -31.08 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.27 -31.25 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -75.04 -43.61 52.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -69.12 -31.63 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -30.67 64.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.07 -31.18 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.42 -41.02 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG22 ' HD2' ' A' ' 105' ' ' LYS . 12.4 p -58.7 -31.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.77 -20.59 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -27.53 23.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.651 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.2 ptp -87.94 -27.02 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.12 -53.06 67.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 48.9 Cg_exo -55.7 -42.67 65.18 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.45 2.1 . . . . 0.0 112.275 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -72.78 -31.44 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.52 156.04 25.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.26 169.93 17.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -102.17 137.77 40.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -122.55 133.41 54.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.83 120.91 26.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 11.5 mt -60.85 -30.68 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.59 -46.02 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -58.46 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.94 -31.47 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -62.21 -31.58 72.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.43 -30.98 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.97 -38.74 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -66.58 -26.34 67.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -80.3 -32.69 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -100.27 164.99 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 -50.59 2.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -41.5 91.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.24 -34.57 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 -28.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.98 -67.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 110' ' ' LEU . 12.9 pt -121.98 -3.3 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.68 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.86 -27.68 67.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -79.07 -29.34 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.78 -30.73 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.85 -40.25 94.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -30.63 69.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 148.55 32.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.33 168.34 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.76 -30.53 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 47.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -120.59 102.35 45.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.05 -26.78 10.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.516 2.144 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -73.79 -26.79 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -56.55 -50.63 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -31.63 71.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.65 -32.62 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.85 -42.31 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.01 -34.17 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -60.35 -50.3 74.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -70.47 -29.3 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.4 m -69.88 69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 76' ' ' GLY . . . -159.58 114.71 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.722 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.4 mt -115.05 -37.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 -97.14 -50.68 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.672 ' O ' ' HB1' ' A' ' 73' ' ' ALA . . . -102.72 152.37 18.22 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -170.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -107.83 -32.23 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -117.82 139.75 50.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.1 m -81.26 140.8 34.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.09 128.3 55.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 65.5 -76.81 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -155.88 116.2 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -129.12 157.47 41.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.93 -37.15 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.24 118.76 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -59.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 93' ' ' LEU . 3.1 mt -80.69 173.92 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 90' ' ' LEU . 5.8 t -143.44 -48.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 89' ' ' THR . 6.2 tp -177.56 -61.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 95' ' ' VAL . 58.6 t-80 -62.44 -41.74 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.683 ' CD2' HD13 ' A' ' 88' ' ' LEU . 7.0 mt -78.05 -34.51 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.65 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.2 m -68.62 -16.1 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.405 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -81.54 -48.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.739 0.305 . . . . 0.0 111.408 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -74.97 -30.52 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.233 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mm-40 -79.68 -31.38 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -67.61 -42.37 82.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -74.44 -26.57 60.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.05 -58.45 7.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.73 -36.19 76.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.44 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -61.18 -47.09 87.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -37.42 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -63.94 -49.83 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HD2' HG22 ' A' ' 22' ' ' VAL . 11.3 mttm -66.77 -31.64 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.93 104.88 6.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -29.3 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.73 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.43 HD21 ' HG2' ' A' ' 115' ' ' GLU . 5.6 mt -64.71 -29.05 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.3 mt -55.18 -30.37 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 45.8 p -85.14 -37.35 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.17 121.72 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -96.3 -48.08 5.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.46 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.43 ' HG2' HD21 ' A' ' 109' ' ' LEU . 4.5 tt0 -76.21 -35.41 59.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp -72.41 -53.49 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.722 ' HD1' HD13 ' A' ' 74' ' ' ILE . 38.7 t80 -59.94 -30.32 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.6 -51.51 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.29 -47.96 83.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.03 -29.88 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.61 -30.67 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -62.51 -56.07 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 127' ' ' VAL . 4.5 mt -63.73 -30.1 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -31.56 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.84 -31.32 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -76.12 -30.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -33.53 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -68.68 -54.48 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 117.94 34.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TYR . . . . . 0.452 ' OH ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -162.82 109.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.8 p -125.65 127.92 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -104.47 -40.24 6.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -139.54 169.48 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.448 HG23 ' H ' ' A' ' 136' ' ' THR . 1.0 OUTLIER -143.56 -54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.448 ' H ' HG23 ' A' ' 135' ' ' THR . 0.2 OUTLIER 55.58 51.47 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.028 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.2 t -67.44 -75.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.77 163.36 4.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.23 95.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.531 2.154 . . . . 0.0 112.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.7 m -92.68 134.93 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 82.4 p -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.51 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -61.66 161.68 9.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -84.1 -178.14 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.24 -45.72 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -100.69 110.29 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 p -135.75 -47.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.22 127.8 1.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.546 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.83 -176.55 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.74 -169.86 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.087 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 97' ' ' GLU . 9.7 mt -62.47 162.79 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.99 -179.39 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.67 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.14 -32.85 24.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.83 6.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.22 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -29.49 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.564 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -76.34 -50.07 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.64 -29.29 66.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.16 -31.01 43.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -47.33 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.0 p -58.9 -29.06 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.01 -21.38 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 28' ' ' THR . 1.8 mmp_? -85.78 -50.05 7.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.405 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.0 ptp -69.66 -23.46 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.77 -60.9 8.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -65.3 -32.77 50.37 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.623 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.8 p -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.51 159.15 77.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.51 152.62 70.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.559 2.172 . . . . 0.0 112.304 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 140.86 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -120.63 136.82 54.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.07 -32.55 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -64.71 -32.75 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.88 -40.94 83.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 m -82.47 -34.1 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -62.49 -46.31 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -30.8 70.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.51 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 70.3 mt -69.82 -39.67 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -29.6 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -90.88 -33.62 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -89.81 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -137.21 -60.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -59.24 -42.23 90.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 44' ' ' ASN . 71.7 mt -60.31 -29.9 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.982 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -93.93 -27.84 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -27.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 ttt -84.19 -67.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.8 pt -126.11 45.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.27 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -30.07 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -67.55 -30.48 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.77 -32.55 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -71.57 -35.25 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.93 -30.79 31.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -179.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -84.05 158.52 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -88.59 -31.11 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.4 56.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.07 146.08 59.27 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.94 -33.38 12.22 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.611 2.208 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -66.42 -26.93 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -56.3 22.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.01 -31.48 71.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.53 -49.03 75.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.912 HG23 HD21 ' A' ' 110' ' ' LEU . 7.7 mt -63.78 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -62.68 -30.33 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -67.26 -54.66 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -69.89 -26.91 64.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 m -59.9 86.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.24 122.55 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.633 HG22 ' O ' ' A' ' 74' ' ' ILE . 3.7 mt -126.47 18.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.354 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HE2' HG11 ' A' ' 95' ' ' VAL . 12.3 m-85 -143.25 93.71 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.92 -164.05 7.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.62 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -93.78 -176.47 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -113.47 -35.74 5.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -118.3 170.63 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -143.09 -172.81 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -69.19 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -106.1 -75.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.01 162.56 15.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.06 122.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.47 68.52 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 63.37 141.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.92 30.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' A' ' 92' ' ' GLU . 1.2 mt -88.02 121.97 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -81.56 -169.84 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.58 -58.59 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -59.24 -29.28 67.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.628 ' HB3' HD23 ' A' ' 88' ' ' LEU . 10.8 mt-10 -70.95 -46.37 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.15 -29.61 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -72.51 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' HIS . 27.2 t -65.83 -36.71 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.48 -32.43 68.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' HD12 ' A' ' 10' ' ' LEU . 2.4 tt0 -100.05 -28.7 12.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -57.98 -36.99 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -94.74 17.39 13.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.14 -38.79 8.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -76.04 -34.22 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 22' ' ' VAL . 7.1 mt -65.87 -30.72 71.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.46 -31.33 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ALA . 22.5 t -61.31 -62.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -59.18 -49.71 76.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 109' ' ' LEU . 74.0 m-20 -111.12 106.4 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -70.23 -30.06 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.4 mt -59.35 -26.86 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 51' ' ' ILE . 22.0 mt -57.87 -34.25 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.063 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -81.62 -31.44 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.35 93.15 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -77.41 -41.35 40.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 99' ' ' ALA . 19.0 tp -66.26 -44.48 83.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 74' ' ' ILE . 71.3 t80 -66.14 -30.64 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.16 -30.67 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.29 -41.29 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -60.6 -41.46 94.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -62.19 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -30.0 71.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.564 HG21 HG13 ' A' ' 18' ' ' VAL . 28.0 mt -89.07 -28.28 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 t -57.68 -33.41 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -80.23 -30.12 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.05 -30.36 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.4 t -81.27 -45.34 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.3 m -57.96 -28.17 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.85 -66.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 115.21 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -127.39 -66.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.86 153.48 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -85.92 -31.2 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.5 174.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -53.69 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.7 t -171.23 -172.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.9 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.12 145.84 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.85 -175.54 2.16 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.16 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 p -89.05 165.43 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.57 86.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.554 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -73.81 -177.08 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 158.17 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 85.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 89.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -117.58 171.2 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.79 -93.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.581 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -175.42 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.889 ' HB1' HD13 ' A' ' 93' ' ' LEU . . . -102.3 -69.49 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 94' ' ' THR . 97.0 mt -70.77 -178.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.29 169.78 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.99 93.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.47 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.71 -36.84 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.72 -45.16 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.06 -33.65 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -66.19 -30.23 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.21 -29.39 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.6 -30.91 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.8 -44.25 23.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 HD23 ' A' ' 102' ' ' LEU . 12.0 p -58.3 -31.25 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -80.42 -25.66 38.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -32.94 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.434 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.3 ptp -87.18 -23.43 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.749 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -53.72 -53.22 59.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.28 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 59.6 Cg_exo -51.67 -45.97 34.77 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.577 2.184 . . . . 0.0 112.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -69.72 -32.56 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 119' ' ' LEU . 19.2 mt -63.72 148.1 94.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.43 160.61 4.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.496 2.131 . . . . 0.0 112.228 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.06 107.32 15.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -109.55 125.94 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.91 154.77 38.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.0 -28.67 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.87 -32.11 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.33 -58.02 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 m -59.26 -30.0 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -31.06 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.91 -29.67 23.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 37' ' ' VAL . 1.3 mt -59.58 -28.13 66.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -70.71 -33.53 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -29.09 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 40' ' ' LEU . 9.4 t -89.15 -31.06 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -101.86 -174.33 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.97 -48.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -31.59 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.7 mt -77.12 -36.39 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -76.17 -29.22 57.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -84.45 -26.78 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 ttt -82.59 -65.96 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.622 HD13 ' HB3' ' A' ' 110' ' ' LEU . 22.6 pt -127.48 41.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.85 -28.35 26.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -74.53 -31.37 62.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.19 -31.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 41' ' ' LEU . 2.4 m-85 -60.06 -46.83 88.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.74 -24.4 44.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 156.29 3.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.78 175.38 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.62 -36.1 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.7 -27.37 66.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.98 119.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.46 -29.79 16.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -63.51 -24.15 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE2' HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -54.93 -43.73 73.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.65 -30.07 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.23 -37.13 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.68 -41.77 64.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.586 HD11 ' HE2' ' A' ' 64' ' ' LYS . 8.5 mt -64.94 -51.35 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.2 -34.17 73.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -67.7 -43.25 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -78.24 -19.65 53.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -95.88 39.34 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.771 0.32 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.02 71.77 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.402 HG23 HH12 ' A' ' 113' ' ' ARG . 21.3 mt -78.1 -40.58 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.514 ' CE1' HG11 ' A' ' 95' ' ' VAL . 34.7 m-85 -99.75 -42.2 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.39 -143.89 3.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' HG2' ' CD1' ' A' ' 78' ' ' PHE . 14.7 ttt180 -156.25 170.2 22.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CD1' ' HG2' ' A' ' 77' ' ' ARG . 45.7 p90 -56.97 -30.97 64.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -76.04 107.85 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -122.92 31.74 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -96.49 -33.99 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -148.18 128.88 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.61 109.26 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.9 -49.65 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.23 65.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.589 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.35 -31.71 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.364 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.68 -50.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.733 HD22 HD23 ' A' ' 93' ' ' LEU . 1.9 mt -76.53 164.61 25.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.708 HG22 ' OE1' ' A' ' 92' ' ' GLU . 2.0 t -157.28 -50.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.97 -72.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -64.71 -30.8 71.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.01 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.708 ' OE1' HG22 ' A' ' 89' ' ' THR . 1.2 mp0 -68.44 -29.99 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.889 HD13 ' HB1' ' A' ' 9' ' ' ALA . 50.9 mt -72.34 -37.48 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.718 ' HA ' HD11 ' A' ' 10' ' ' LEU . 23.7 m -61.96 -29.48 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.514 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.5 t -86.16 -42.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.299 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -59.87 -34.54 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -30.2 23.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.0 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.74 -29.46 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.22 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.01 -47.43 58.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.253 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.57 -30.05 68.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 109' ' ' LEU . 5.5 mt -81.33 -32.08 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.23 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 100' ' ' ALA . 31.1 t -63.38 -51.65 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -59.41 -31.67 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.573 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 8.7 t70 -135.71 109.88 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -67.32 -27.6 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.573 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -62.17 -27.7 69.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.254 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 116' ' ' LEU . 9.0 mt -58.24 -27.18 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.622 ' HB3' HD13 ' A' ' 51' ' ' ILE . 10.0 mt -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.473 HG23 HD11 ' A' ' 51' ' ' ILE . 6.4 p -79.16 -31.01 43.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.798 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -84.65 123.13 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.402 HH12 HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -100.06 -57.19 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -29.44 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.13 -56.87 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 109' ' ' LEU . 29.8 tp -58.43 -29.19 65.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -72.72 -26.85 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.0 -17.07 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.599 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 29' ' ' LEU . 66.4 mt -89.35 -60.25 2.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.172 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.79 32.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.562 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -79.69 -27.15 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.278 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -64.42 -34.19 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.188 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 127' ' ' VAL . 27.1 mt -82.19 -30.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.362 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -26.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -80.49 -30.45 37.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.85 -40.55 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 123' ' ' ILE . 24.5 t -63.0 -28.65 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.288 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -39.4 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.66 -69.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -74.5 105.07 5.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.91 -46.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -100.81 -176.67 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.48 ' H ' HG22 ' A' ' 132' ' ' THR . 7.2 m-85 -140.97 30.66 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -112.72 -34.47 5.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.1 t -93.81 -39.43 10.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.25 91.91 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.09 -69.08 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -126.47 -150.68 7.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.74 -168.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 m -98.54 144.6 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.97 31.45 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.5 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 p -164.33 128.02 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -150.39 151.11 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.8 -39.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -127.19 35.93 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m 60.75 176.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.4 75.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.55 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.5 166.31 22.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.58 167.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.5 -173.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -100.37 -173.23 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.86 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.93 -43.67 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.44 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -31.18 72.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -66.41 -31.29 71.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.7 t -74.98 -34.38 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.11 -30.9 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.81 -30.73 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -79.94 -48.07 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' LEU . 11.0 p -56.11 -42.11 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mm-40 -65.7 -17.74 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -91.65 -32.07 15.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.487 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.5 ptp -89.64 -28.54 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.31 -52.52 73.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 45.0 Cg_exo -56.5 -30.93 84.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.489 2.126 . . . . 0.0 112.216 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -85.11 -28.3 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ALA . 10.6 mt -56.32 120.87 38.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.12 -178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -102.34 152.49 21.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.19 167.61 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.74 106.35 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.19 -28.99 70.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.47 -30.52 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.619 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 m -59.39 -28.77 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -61.48 -48.33 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.98 -29.42 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 37' ' ' VAL . 8.5 mt -59.7 -29.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 35.6 mt -68.12 -44.82 75.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -28.14 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.4 p -88.63 -33.97 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -114.65 103.1 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -65.06 -52.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -34.18 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -71.84 -29.66 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -29.63 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.402 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 1.5 ttp -77.69 -69.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 pt -122.01 41.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.93 -38.52 2.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -64.81 -28.19 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.8 mt -68.95 -31.12 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.48 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 m-85 -58.95 -57.06 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.5 -27.09 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.71 154.27 9.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.19 165.34 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -94.39 -30.29 14.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.79 50.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.47 141.9 42.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.81 -40.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.52 2.147 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.75 -28.8 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.853 ' HE2' HD11 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -58.1 -37.11 73.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.22 94.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.26 -46.26 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.853 HD11 ' HE2' ' A' ' 64' ' ' LYS . 9.5 mt -72.68 -33.33 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -65.64 -30.97 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -74.3 -37.69 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 56.2 m-85 -86.0 -29.0 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.0 p -67.68 74.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.34 101.29 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 HD23 ' A' ' 116' ' ' LEU . 12.9 mt -102.38 16.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.387 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.864 ' CE1' HG11 ' A' ' 95' ' ' VAL . 23.0 m-85 -147.62 115.4 6.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.71 164.73 40.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -178.96 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -125.5 32.46 5.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.16 170.0 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -93.68 126.49 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -99.06 -33.24 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -148.98 -53.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -135.25 -67.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 154.09 39.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.71 33.72 1.84 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 79.6 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -121.57 44.16 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.02 112.49 8.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.802 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.3 p -71.62 -170.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.9 -31.85 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.7 t60 -84.87 -40.62 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 68.9 mt-10 -62.45 -31.27 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -39.48 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 29.8 m -73.72 -35.21 65.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.864 HG11 ' CE1' ' A' ' 75' ' ' TYR . 26.2 t -59.63 -38.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.4 -60.12 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.31 -24.78 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.57 -48.05 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.22 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -99.97 35.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.55 -41.78 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -81.58 -31.33 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 22' ' ' VAL . 11.5 mt -59.73 -32.58 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.29 -33.21 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.638 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.7 t -61.62 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.76 71.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' LEU . 10.7 m-20 -126.08 101.65 6.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 55' ' ' PHE . 2.1 t30 -65.68 -29.43 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.36 71.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 106' ' ' ASP . 6.6 mt -60.06 -26.54 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 68' ' ' ILE . 8.6 mt -55.16 -38.83 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.5 p -79.48 -31.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.57 102.69 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -87.68 -25.45 23.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -84.89 -32.94 22.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.105 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.32 -37.23 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 74' ' ' ILE . 19.8 tp -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.031 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.38 -44.06 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.01 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.66 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.97 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.38 -56.84 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.273 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -60.58 -29.15 69.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -50.44 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.043 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 127' ' ' VAL . 21.1 mt -77.81 -30.71 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -56.46 -54.23 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.23 -29.74 68.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.58 -52.77 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -58.3 -36.24 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.2 m -76.76 -46.96 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.94 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.52 143.41 28.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.63 -172.32 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.1 p -69.45 164.22 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -95.92 83.22 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -69.46 -176.56 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.1 p -95.77 -67.65 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.0 p -71.19 159.6 34.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t -169.23 113.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.64 177.53 18.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.57 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.14 121.87 9.62 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.8 t -142.6 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.3 m -96.79 -49.54 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.529 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.7 mt . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.07 169.14 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.89 71.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.24 -32.69 22.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.44 66.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.23 71.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -66.06 -30.19 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.9 t -76.96 -38.43 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -77.33 -30.21 53.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.95 -30.85 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.17 -39.4 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.2 p -69.14 -30.24 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -20.92 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -28.1 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.598 ' SD ' HD21 ' A' ' 102' ' ' LEU . 17.1 ptp -86.9 -25.85 24.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.82 -53.74 59.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.283 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 69.1 Cg_exo -50.92 -51.28 11.52 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.541 2.16 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -70.63 -31.02 67.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.92 139.73 85.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.39 167.41 26.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -110.27 141.15 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.07 106.0 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.13 -31.19 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -71.58 -32.94 68.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -71.01 -55.02 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 m -59.41 -27.18 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -56.66 -56.86 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -30.7 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.08 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.32 -51.72 41.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -26.25 64.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -82.09 -33.49 29.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.01 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -101.77 175.25 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -129.07 -49.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.86 -39.45 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -76.47 -30.95 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.06 -37.29 69.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -31.27 26.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ttt -66.72 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.9 pt -134.9 34.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.8 -42.89 7.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG13 ' A' ' 54' ' ' ILE . 19.9 p-80 -59.06 -27.85 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 53' ' ' HIS . 24.3 mt -69.51 -33.93 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -69.61 -42.1 74.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -32.07 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 177.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -176.17 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.15 -40.87 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 57.79 4.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.09 117.42 17.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.62 -27.78 26.97 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.412 2.075 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.13 -30.94 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.84 -55.33 35.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.14 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.74 -30.32 64.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.72 -35.04 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.659 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -78.36 -44.64 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -59.9 -32.29 70.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -79.11 -42.52 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -73.04 -31.24 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -71.0 77.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.83 120.64 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -111.65 -32.25 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.514 ' HE2' HG21 ' A' ' 95' ' ' VAL . 29.3 m-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 HD23 ' A' ' 93' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.812 0.339 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 t -123.92 -44.39 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.9 tp -176.11 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 t-160 -69.47 -48.41 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HB3' HD23 ' A' ' 88' ' ' LEU . 3.4 mp0 -60.74 -31.46 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.523 HD23 HD22 ' A' ' 88' ' ' LEU . 33.6 mt -63.46 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 10' ' ' LEU . 19.9 m -80.6 -39.37 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' HIS . 26.0 t -60.02 -31.01 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -57.62 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.71 -30.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.6 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -97.68 -32.3 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.27 -31.51 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.598 HD21 ' SD ' ' A' ' 25' ' ' MET . 2.7 mt -73.28 -38.49 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.0 m -59.89 -31.11 69.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -60.43 -64.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -63.97 -32.49 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.636 ' HB2' HD12 ' A' ' 109' ' ' LEU . 6.2 m-20 -118.69 89.8 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.87 -25.22 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.14 66.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 106' ' ' ASP . 5.8 mt -58.2 -24.94 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.659 HD21 HG23 ' A' ' 68' ' ' ILE . 9.2 mt -56.7 -34.33 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.2 p -82.33 -39.28 23.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -78.41 101.86 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -45.38 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -48.18 81.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.03 -51.35 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.6 HD21 ' HB1' ' A' ' 99' ' ' ALA . 6.3 tp -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -67.98 -29.52 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.68 -30.48 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.12 -48.28 53.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.19 -42.12 90.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.3 mtp85 -61.96 -30.93 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.014 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -62.11 -46.25 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.3 mt -78.76 -32.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.9 t -59.96 -39.09 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -79.41 -30.96 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.53 -52.31 65.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -27.18 68.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -56.98 -62.52 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 94' ' ' THR . 41.7 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.771 0.32 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -172.48 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.51 -35.74 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.17 22.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -61.08 -50.48 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.52 91.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.94 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 22' ' ' VAL . 24.2 t -70.55 -46.33 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -63.45 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.74 -31.88 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -44.57 16.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 18' ' ' VAL . 10.6 p -59.3 -30.34 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.3 -19.7 31.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -27.82 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.016 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' ' 119' ' ' LEU . 10.6 ptp -88.28 -27.58 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.1 -52.9 70.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.247 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 52.8 Cg_exo -52.64 -43.91 51.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.533 2.155 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -80.37 -26.99 38.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 26' ' ' ALA . 7.7 mt -56.21 123.96 57.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.85 175.94 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 163.27 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -124.47 133.13 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -95.68 102.45 14.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.9 -29.45 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.22 -30.31 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.09 -32.83 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -86.42 -24.42 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -57.74 -58.11 9.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.49 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.24 -30.21 70.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.8 mt -79.36 -38.1 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -28.19 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -83.48 -33.07 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 47' ' ' LEU . 2.2 m120 -85.57 175.96 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -46.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -53.14 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.454 HD12 ' ND2' ' A' ' 44' ' ' ASN . 14.0 mt -60.02 -31.84 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -75.72 -26.69 57.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -28.82 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -80.45 -66.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.1 36.86 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.242 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.32 -41.93 3.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.415 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -60.81 -28.97 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.411 HG22 ' OD1' ' A' ' 107' ' ' ASN . 33.7 mt -65.44 -33.55 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.726 ' CD2' HD11 ' A' ' 41' ' ' LEU . 13.9 m-85 -65.44 -53.39 43.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -28.43 69.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.78 172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.64 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.49 -31.67 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -125.66 65.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.68 146.86 33.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.99 -32.49 17.52 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -75.27 -26.68 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.8 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -56.24 -36.31 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.62 -30.55 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -84.23 -32.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.83 -34.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.8 HD11 ' HD2' ' A' ' 64' ' ' LYS . 10.8 mt -80.71 -45.64 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -59.13 -29.83 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.38 -47.41 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.009 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -81.82 -27.19 33.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -56.96 90.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.9 126.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 95' ' ' VAL . 32.3 mt -110.48 -33.95 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 92' ' ' GLU . 32.0 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.3 t -152.85 -53.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' H ' HG23 ' A' ' 89' ' ' THR . 17.4 tp -176.14 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.6 t-80 -68.17 -50.32 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HB3' HD22 ' A' ' 88' ' ' LEU . 1.9 mp0 -59.26 -31.46 69.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.4 -48.25 82.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.688 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.73 -46.54 89.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.03 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 74' ' ' ILE . 19.7 t -55.97 -28.58 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.53 -61.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -89.48 -28.47 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.237 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.5 -47.24 84.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.29 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.532 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -73.17 -39.87 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.02 -30.77 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.6 t -68.03 -50.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -42.19 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' ' 108' ' ' ALA . 14.4 t70 -124.68 113.72 18.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.011 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -70.81 -30.09 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB3' ' OD2' ' A' ' 106' ' ' ASP . . . -61.77 -30.1 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.63 -29.98 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 68' ' ' ILE . 8.9 mt -58.16 -32.09 67.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -38.21 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.57 89.37 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -44.1 69.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.15 -31.65 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.3 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' ' 99' ' ' ALA . 37.4 tp -67.34 -32.37 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -70.54 -44.23 67.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.4 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' ' 25' ' ' MET . 74.8 mt -76.55 -51.42 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.44 -35.72 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -73.0 -31.36 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -41.25 92.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.714 ' O ' HG23 ' A' ' 127' ' ' VAL . 22.4 mt -76.56 -34.59 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -59.84 -50.95 71.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -63.14 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.99 -44.02 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -66.68 -33.4 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -31.78 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.21 -54.52 43.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.773 HD11 ' HA ' ' A' ' 94' ' ' THR . 12.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.835 0.35 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.45 -169.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.34 -43.19 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.78 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.0 -50.83 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.31 -52.08 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.462 ' OG ' HG22 ' A' ' 127' ' ' VAL . 16.5 t -60.01 -31.24 69.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 14' ' ' ALA . 22.0 t -76.97 -30.37 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.67 -25.98 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.43 -48.82 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.062 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -47.09 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -55.12 -28.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.273 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -87.13 -21.91 25.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -25.44 20.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ptp -88.12 -28.28 21.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.29 -53.21 68.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 73.0 Cg_exo -49.42 -42.43 41.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.681 2.254 . . . . 0.0 112.482 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 t -81.35 -31.15 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.23 138.06 56.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 176.54 9.91 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.36 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -130.28 166.82 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.08 161.01 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.65 159.87 19.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HA ' HG22 ' A' ' 37' ' ' VAL . 9.1 mt -93.37 -30.93 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -60.59 -31.77 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' A' ' 40' ' ' LEU . 29.7 m -58.81 -29.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.251 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -58.93 -58.01 10.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.27 -31.0 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 37' ' ' VAL . 56.8 mt -64.24 -30.04 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 55' ' ' PHE . 95.9 mt -72.86 -41.04 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 40' ' ' LEU . 7.9 t -88.15 -31.81 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.57 169.62 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -138.97 -47.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -58.73 -31.43 68.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -92.68 -31.6 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -91.96 -25.08 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -59.75 2.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.589 HD11 ' CG2' ' A' ' 111' ' ' THR . 3.0 pt -128.75 31.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.379 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.64 -36.1 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.405 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -65.36 -27.75 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 64' ' ' LYS . 36.1 mt -70.25 -37.63 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CD2' HD11 ' A' ' 41' ' ' LEU . 36.8 m-85 -64.11 -48.51 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttp -62.12 160.24 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.98 -177.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.6 -36.17 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.2 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -108.73 120.9 44.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.99 -28.73 41.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.467 2.111 . . . . 0.0 112.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.653 ' CD ' HD11 ' A' ' 68' ' ' ILE . 1.7 ttmt -58.31 -54.1 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.995 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -29.24 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.18 -27.87 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -87.85 -46.83 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.761 HG23 HD21 ' A' ' 110' ' ' LEU . 7.2 mt -61.93 -38.12 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.44 -30.73 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -70.64 -39.82 73.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -84.1 -32.17 24.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.8 m -73.07 91.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.5 98.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.652 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.8 mt -79.5 -39.85 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.844 ' CE1' HG11 ' A' ' 95' ' ' VAL . 14.4 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 92' ' ' GLU . 22.1 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.83 0.348 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 t -126.92 -51.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -176.41 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 95' ' ' VAL . 20.0 t-80 -59.41 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.496 ' HB3' HD22 ' A' ' 88' ' ' LEU . 40.5 mt-10 -58.74 -29.17 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 -35.34 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.773 ' HA ' HD11 ' A' ' 10' ' ' LEU . 4.0 m -66.59 -30.94 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.844 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.7 t -64.88 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -83.71 -52.21 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -30.63 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.94 70.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -97.69 -28.79 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.314 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.77 -35.17 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.69 -35.26 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 109' ' ' LEU . 13.5 mt -72.1 -31.19 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.78 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 100' ' ' ALA . 25.6 t -68.55 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -59.79 -31.76 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.543 ' HB2' HD12 ' A' ' 109' ' ' LEU . 55.8 m-20 -129.29 94.4 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.415 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -63.11 -30.1 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.56 -29.85 66.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ASP . 11.2 mt -64.69 -25.0 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.761 HD21 HG23 ' A' ' 68' ' ' ILE . 12.7 mt -55.68 -35.77 66.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.589 ' CG2' HD11 ' A' ' 51' ' ' ILE . 6.9 p -77.93 -40.25 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -75.97 101.69 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -82.17 -42.13 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.94 -41.5 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -49.35 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.635 HD11 ' HB1' ' A' ' 99' ' ' ALA . 8.3 tp -66.16 -30.15 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.652 ' HD1' HD13 ' A' ' 74' ' ' ILE . 33.5 t80 -69.5 -30.4 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.27 -44.25 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.71 -38.19 80.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -71.27 -47.35 57.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -60.31 -28.11 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.85 -57.51 12.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 127' ' ' VAL . 11.3 mt -70.2 -31.52 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -29.84 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -38.11 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -37.18 86.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' ILE . 29.4 t -67.39 -46.09 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -65.34 -37.38 86.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -59.82 -56.95 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 94' ' ' THR . 29.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.793 0.33 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -101.31 177.23 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.51 90.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.54 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.14 90.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.49 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.81 -40.0 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -38.58 83.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.607 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -73.49 -41.79 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -30.95 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.63 -44.77 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 t -60.44 -46.35 90.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.61 -29.98 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -80.71 -24.56 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -83.35 -30.09 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.031 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.587 ' SD ' HD21 ' A' ' 102' ' ' LEU . 11.6 ptp -87.06 -23.41 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -54.74 -53.24 62.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.312 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 65.4 Cg_exo -51.3 -46.8 29.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.8 p -73.34 -32.71 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.51 124.01 89.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.81 158.54 8.36 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.337 2.025 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 155.76 18.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 157.33 34.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.03 131.56 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.2 -31.7 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.47 -31.25 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.83 -42.52 85.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.19 -28.83 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -57.97 -50.84 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.17 -30.05 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.46 -36.3 76.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 55' ' ' PHE . 45.2 mt -65.56 -38.07 88.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -27.81 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.5 p -94.14 -33.58 13.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.463 ' CG ' HD12 ' A' ' 47' ' ' LEU . 5.2 m120 -80.59 176.03 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -136.34 -55.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.17 -47.24 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 44' ' ' ASN . 5.9 mt -70.25 -34.77 73.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.26 -28.04 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttt -80.96 -67.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.086 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.2 pt -122.9 37.54 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.24 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.12 -34.5 6.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -72.5 -28.75 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.83 -34.75 69.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 41' ' ' LEU . 25.9 m-85 -61.98 -31.55 71.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.02 -32.02 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttp -68.75 164.22 22.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -78.56 169.38 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.78 32.1 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.83 33.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.67 137.59 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.92 -27.77 55.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.464 2.109 . . . . 0.0 112.347 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.65 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.569 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.59 -30.77 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -85.62 -30.32 23.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.11 -47.8 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mt -62.92 -44.29 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -65.04 -29.68 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -33.4 66.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 43.9 m-85 -92.72 -31.26 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -75.88 78.42 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.41 91.12 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.26 -34.9 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 92' ' ' GLU . 70.1 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.2 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 90' ' ' LEU . 4.0 t -145.34 -48.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HG23 ' A' ' 89' ' ' THR . 2.8 tt -176.04 -54.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -51.9 63.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 23.5 mt-10 -60.2 -30.89 69.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 mt -65.02 -30.81 71.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.603 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -79.02 -39.1 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.013 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.55 -27.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.25 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.52 -30.36 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.045 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -91.93 -29.22 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -57.53 -60.47 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.17 -28.17 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.16 -35.15 71.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.69 -34.53 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 ' SD ' ' A' ' 25' ' ' MET . 1.2 mt -65.38 -32.34 73.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.88 -31.02 66.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 100' ' ' ALA . 30.1 t -62.22 -46.39 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -63.76 -48.22 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -124.51 102.84 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.579 ' HB1' ' NH1' ' A' ' 112' ' ' ARG . . . -58.79 -28.82 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.67 -27.82 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.8 mt -57.22 -29.98 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.992 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 51' ' ' ILE . 71.2 p -82.72 -48.06 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.579 ' NH1' ' HB1' ' A' ' 108' ' ' ALA . 3.4 mtt180 -77.43 89.4 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -75.32 -41.36 57.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.2 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -82.76 -44.53 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 99' ' ' ALA . 18.1 tp -64.49 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.81 -30.7 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.97 -30.56 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.9 mt -77.12 -37.84 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.74 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.87 -58.48 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 127' ' ' VAL . 33.1 mt -69.31 -27.37 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -57.79 -31.94 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -86.38 -31.48 21.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -30.62 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 123' ' ' ILE . 28.2 t -80.82 -52.15 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.7 m -59.7 -33.91 72.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.11 -42.52 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 94' ' ' THR . 24.7 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.758 0.313 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.04 175.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 -43.52 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB1' HG11 ' A' ' 127' ' ' VAL . . . -66.15 -30.7 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.39 70.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.48 -36.99 77.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -65.37 -30.92 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.56 -30.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.53 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -82.75 -39.67 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.39 -47.66 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 12.7 p -55.88 -31.81 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.19 -24.09 37.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -29.73 19.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.027 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 102' ' ' LEU . 1.1 ptp -88.23 -26.63 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.39 -53.22 67.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.13 -31.84 46.91 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.57 2.18 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -86.29 -31.37 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.16 140.97 90.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.23 -170.47 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.504 2.136 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.53 134.14 55.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -93.99 178.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -103.89 130.4 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.8 mt -90.8 -30.86 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -56.52 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 34' ' ' LEU . 19.3 m -59.27 -29.51 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -59.14 -53.64 56.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -59.53 -30.84 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -25.35 64.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.2 mt -85.48 -43.21 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -29.13 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLU . 4.3 t -88.82 -31.67 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CB ' HD12 ' A' ' 47' ' ' LEU . 15.6 m120 -98.82 118.01 34.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -75.74 -32.23 59.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -72.36 -48.82 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' ' 44' ' ' ASN . 93.4 mt -61.29 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -87.93 -29.76 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ttt -79.07 -67.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.0 pt -123.29 43.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.179 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.35 -29.31 5.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -70.58 -28.68 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.21 -30.96 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 41' ' ' LEU . 30.0 m-85 -71.63 -31.48 66.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.0 -46.29 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 ttt -60.49 161.52 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -76.47 -175.95 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -109.39 -29.91 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -30.54 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.77 129.57 94.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.07 -25.3 19.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.519 2.146 . . . . 0.0 112.403 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -56.15 -23.26 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.8 -31.1 58.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.65 -31.0 68.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.55 -42.05 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 104' ' ' VAL . 16.2 mt -73.86 -29.3 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -61.8 -28.89 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.56 -43.38 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -76.57 -32.18 57.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.4 p -60.59 89.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -118.79 -41.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD2' ' HG3' ' A' ' 92' ' ' GLU . 46.0 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 92' ' ' GLU . 8.1 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 92' ' ' GLU . 1.8 t -139.24 -51.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -176.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.484 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -58.9 -39.76 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.776 ' HB3' HD22 ' A' ' 88' ' ' LEU . 2.1 mp0 -60.37 -30.79 69.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.49 -31.25 42.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.83 -31.19 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -84.26 -39.86 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -62.11 -30.37 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.95 -29.52 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.45 -29.83 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.207 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -99.61 -21.27 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.372 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.04 56.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -93.46 -31.11 14.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.975 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 25' ' ' MET . 4.1 mt -67.2 -40.63 86.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.34 -30.14 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.599 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.2 t -59.13 -64.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.265 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -57.36 -54.7 43.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.65 101.31 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.2 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 13.0 mt -58.34 -28.22 64.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 51' ' ' ILE . 1.9 mt -57.29 -32.78 66.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.8 p -90.41 -31.74 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.22 111.23 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -89.77 -41.64 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -54.8 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 119' ' ' LEU . 9.7 tt0 -59.5 -52.56 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 99' ' ' ALA . 9.2 tp -57.87 -29.19 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.1 -30.14 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.68 -41.52 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.576 HD11 ' OE2' ' A' ' 115' ' ' GLU . 75.9 mt -68.0 -45.32 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.33 -52.26 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -29.02 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.66 -32.56 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 127' ' ' VAL . 31.5 mt -84.69 -32.07 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 t -63.46 -48.64 76.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -30.58 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.66 -53.28 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.553 HG11 ' HB1' ' A' ' 14' ' ' ALA . 21.4 t -67.23 -43.64 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.7 m -59.77 -39.38 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.09 -57.72 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.99 -179.73 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -30.51 55.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.65 -31.21 18.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -70.12 -44.64 68.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.55 -28.7 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.238 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -44.73 64.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -59.14 -38.85 80.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.995 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.7 t -67.65 -29.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.89 23.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.235 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -76.74 -40.09 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.33 -48.27 57.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 102' ' ' LEU . 11.2 p -57.53 -28.87 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.73 -19.83 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.272 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -27.5 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -88.22 -30.64 19.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.9 -52.85 71.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.223 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 49.9 Cg_exo -55.81 -34.84 92.44 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.302 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.3 p -81.64 -34.47 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt -69.59 140.34 89.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.86 167.06 27.91 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.362 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -95.03 156.39 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -106.35 173.15 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -79.31 102.82 8.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.27 -54.41 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.22 -30.57 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -64.46 -48.34 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -57.2 -29.9 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -31.42 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.17 -40.22 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.63 -28.29 69.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.013 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 39' ' ' GLU . 10.7 t -88.76 -34.67 17.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.75 172.15 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -42.99 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -59.46 -57.12 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.93 -31.27 70.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.94 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -88.92 -29.53 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -67.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.13 40.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.17 -36.33 4.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -66.81 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.307 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.21 -32.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.2 m-85 -67.5 -53.29 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.22 -25.71 66.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.26 151.39 9.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 154.93 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -88.67 -29.15 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.17 38.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.36 135.56 23.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.88 -28.68 16.24 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.501 2.134 . . . . 0.0 112.272 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -62.85 -26.84 68.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -56.48 -49.55 74.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 68' ' ' ILE . 2.6 tt0 -58.9 -43.43 90.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -31.25 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.98 -42.15 40.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 110' ' ' LEU . 7.3 mt -66.29 -40.49 86.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -70.14 -31.35 68.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -58.85 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.53 -28.44 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -60.36 86.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.38 126.73 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 74' ' ' ILE . 19.1 mt -133.37 18.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' HE1' HG11 ' A' ' 95' ' ' VAL . 15.4 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD13 HD23 ' A' ' 93' ' ' LEU . 4.3 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.83 0.347 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -109.59 -43.4 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -173.18 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.0 t-80 -59.48 -40.33 86.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -68.91 -30.84 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 88' ' ' LEU . 17.1 mt -64.85 -34.02 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.732 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.3 m -78.14 -31.73 49.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 91' ' ' HIS . 28.1 t -67.92 -48.34 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -35.85 82.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.04 -41.86 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.57 -31.04 69.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.582 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -77.04 -35.74 56.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -65.46 -44.77 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.19 -38.08 82.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 22' ' ' VAL . 21.9 mt -71.96 -34.18 68.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.33 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.567 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.5 t -62.98 -49.89 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -136.35 111.03 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -66.3 -30.72 71.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.39 -29.91 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 109' ' ' LEU . 12.7 mt -62.08 -28.86 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 68' ' ' ILE . 15.5 mt -57.78 -35.83 71.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.6 p -77.77 -31.14 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.76 125.2 27.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.33 -33.03 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.67 -37.5 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -41.93 98.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 ' HB1' ' A' ' 99' ' ' ALA . 29.6 tp -76.43 -30.71 57.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.16 -30.39 70.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.66 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.72 -49.63 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.33 -28.54 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.16 -48.47 80.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 127' ' ' VAL . 7.2 mt -72.59 -30.08 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -57.23 -32.16 66.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -88.66 -40.1 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 123' ' ' ILE . 22.8 t -80.33 -50.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -59.71 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 94' ' ' THR . 32.6 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.777 0.322 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.35 175.15 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -60.64 -31.32 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.29 9.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.91 74.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.3 mt -74.58 -35.0 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HG21 ' A' ' 123' ' ' ILE . 21.4 t -88.03 -34.2 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.47 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -83.31 -30.94 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.25 -45.45 55.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.867 HG23 HD23 ' A' ' 102' ' ' LEU . 11.6 p -58.21 -29.65 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.79 -23.83 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 28' ' ' THR . 1.9 mtt-85 -84.84 -43.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.319 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 ptp -77.83 -22.36 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.4 -61.43 6.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.515 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 36.0 Cg_endo -65.33 -32.39 50.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.664 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 24' ' ' ARG . 16.8 p -75.49 -33.04 60.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.84 152.09 95.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 -169.16 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -178.37 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.61 166.95 22.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.32 133.95 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.88 -31.64 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.98 -31.36 72.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -47.37 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.24 -26.69 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.6 -39.43 73.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.51 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -31.27 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 52.2 mt -80.14 -31.66 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -68.31 -28.27 67.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.5 p -82.46 -32.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -105.14 178.68 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -44.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.17 -41.12 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.2 -32.56 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -82.01 -24.05 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -92.89 -28.19 16.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -82.26 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.7 pt -119.9 34.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.77 -41.93 3.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -65.81 -29.84 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.463 HD11 ' CE2' ' A' ' 71' ' ' TYR . 26.6 mt -66.81 -30.94 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.53 -36.91 85.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.49 -31.4 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 169.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -100.83 152.04 20.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.36 -28.13 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.79 57.24 4.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.92 139.14 14.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.23 -28.47 15.39 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.62 2.214 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -74.99 -29.68 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.53 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -59.29 -45.09 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -29.4 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.88 -42.21 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.876 HG23 HD21 ' A' ' 110' ' ' LEU . 6.6 mt -64.85 -45.66 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -58.79 -28.15 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -69.14 -33.86 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 54' ' ' ILE . 84.2 m-85 -94.49 -40.69 9.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 p -59.01 97.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.69 104.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HG12 ' A' ' 95' ' ' VAL . 31.4 mt -80.52 -50.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 t -96.67 -40.53 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -176.69 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.17 -46.98 87.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.21 -31.67 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.51 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.636 ' HA ' HD11 ' A' ' 10' ' ' LEU . 2.1 m -70.93 -42.0 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.827 HG12 HD12 ' A' ' 74' ' ' ILE . 21.6 t -61.55 -36.87 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.88 -59.63 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.64 -59.4 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.37 -44.41 92.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -75.85 -33.11 60.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 22' ' ' VAL . 68.4 mt -71.55 -39.58 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.85 -30.5 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.3 t -59.82 -58.25 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -60.12 -46.66 88.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 21.2 t0 -108.31 104.41 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.47 -26.26 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -66.2 -31.9 73.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 106' ' ' ASP . 13.4 mt -59.98 -30.21 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG23 ' A' ' 68' ' ' ILE . 19.9 mt -59.92 -33.17 71.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.0 p -85.56 -38.52 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -97.96 101.1 12.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -79.16 -28.91 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -53.88 53.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -34.83 78.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.828 HD21 ' HB1' ' A' ' 99' ' ' ALA . 14.3 tp -64.93 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.17 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.63 -56.76 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.69 -40.41 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.34 87.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.285 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -29.58 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.75 -31.23 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.063 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.712 HG21 HG13 ' A' ' 18' ' ' VAL . 23.4 mt -88.53 -30.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -30.31 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.997 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -31.09 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.56 -46.85 77.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.82 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -31.06 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -72.43 -62.21 1.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.7 -175.11 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -71.15 -34.62 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.92 -49.93 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -59.75 -48.27 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.71 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 12' ' ' ALA . 3.5 mt -69.71 -40.39 76.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -49.3 78.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.608 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -66.44 -41.22 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.8 72.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.67 -31.23 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -46.69 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.6 p -56.35 -29.75 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.34 -18.45 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -46.22 8.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.1 ptp -70.62 -27.29 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.26 -61.56 6.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.517 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.612 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 18.0 Cg_endo -59.77 -42.04 49.53 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.48 2.12 . . . . 0.0 112.445 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -67.94 -29.8 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.15 156.28 88.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.55 -177.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.574 2.183 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 125.03 53.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 m -100.47 134.58 43.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 128.86 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.66 -31.45 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.14 -31.41 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.12 -49.86 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -70.36 -30.33 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.07 -47.49 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.35 -33.94 73.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -36.53 77.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 55' ' ' PHE . 10.1 mt -73.07 -30.32 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -30.6 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.6 p -86.87 -31.81 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -91.61 152.94 20.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.01 -31.57 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -79.75 -45.36 19.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -32.62 73.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.96 -29.26 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -86.41 -28.05 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -65.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 pt -129.92 36.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.316 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.63 -45.36 3.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -60.64 -29.32 69.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.5 -40.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 41' ' ' LEU . 18.6 m-85 -60.41 -50.86 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.61 175.9 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.22 -170.93 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.7 -31.16 8.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 30.95 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.52 131.08 44.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.02 -46.91 30.1 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.381 2.054 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -59.27 -25.59 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -55.8 -37.94 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -71.99 -45.41 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.66 -41.15 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.58 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 104' ' ' VAL . 38.1 mt -64.26 -40.98 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -60.3 -31.17 70.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -66.47 -55.66 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -72.22 -41.25 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.3 m -65.8 82.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.13 78.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -72.11 -30.1 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.516 ' HB3' HD21 ' A' ' 88' ' ' LEU . 67.1 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 75' ' ' TYR . 37.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.836 0.35 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 90' ' ' LEU . 10.0 t -136.79 -46.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 128' ' ' THR . 5.2 tp -170.04 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.89 -51.36 70.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.494 ' CB ' HD22 ' A' ' 88' ' ' LEU . 29.2 mt-10 -61.65 -31.06 71.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 mt -71.37 -40.41 70.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.743 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -60.3 -50.54 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 74' ' ' ILE . 23.0 t -59.33 -28.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.41 -38.04 85.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.93 -31.75 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.608 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -58.71 -29.7 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.55 -30.55 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -66.9 -43.9 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -70.32 -30.9 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.627 ' HB3' HD13 ' A' ' 109' ' ' LEU . 4.1 mt -71.55 -33.13 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.68 -31.14 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.2 t -68.7 -54.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -60.0 -39.58 86.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 109' ' ' LEU . 7.1 m-20 -125.33 115.24 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.98 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' A' ' 102' ' ' LEU . 4.6 mt -60.9 -28.47 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.99 -35.01 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 p -83.56 -31.05 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -79.16 98.87 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -33.21 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.88 -30.49 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.01 -44.68 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.26 -35.17 74.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.67 -30.05 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.5 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.95 -34.08 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.31 77.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.113 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -33.77 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.86 -44.57 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 127' ' ' VAL . 23.4 mt -73.88 -32.75 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.43 -59.19 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -59.01 -29.63 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -83.32 -51.83 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.443 HG22 ' CD2' ' A' ' 90' ' ' LEU . 39.8 p -58.04 -35.91 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -79.81 -69.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 94' ' ' THR . 82.1 mt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.39 166.81 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -30.79 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.25 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.66 83.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.69 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -31.11 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.705 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -73.43 -45.41 54.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.16 -31.04 43.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.23 58.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.22 -31.3 16.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HB2' HG21 ' A' ' 123' ' ' ILE . 27.3 m -73.74 -38.61 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 23' ' ' GLU . 11.2 p -59.34 -30.11 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.582 ' HG3' HG13 ' A' ' 22' ' ' VAL . 36.0 mt-10 -92.44 -15.8 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -29.24 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptp -88.9 -26.25 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.3 -53.08 65.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.381 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 60.5 Cg_exo -51.72 -42.91 54.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 0.0 112.298 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -73.63 -31.84 63.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.555 HD11 HD22 ' A' ' 119' ' ' LEU . 37.1 mt -74.32 152.82 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 140.56 40.75 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.531 2.154 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.2 p -119.34 148.24 43.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.91 155.16 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.08 -30.52 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.43 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.44 -39.52 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -83.18 -26.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -56.79 -51.25 69.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -31.42 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 mt -65.9 -31.59 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.825 HD11 ' CD2' ' A' ' 55' ' ' PHE . 54.4 mt -83.07 -29.48 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -24.41 58.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 40' ' ' LEU . 5.5 t -80.36 -35.07 35.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.421 ' ND2' HD12 ' A' ' 47' ' ' LEU . 1.2 m120 -111.87 136.78 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.1 -30.98 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -74.35 -40.21 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD12 ' ND2' ' A' ' 44' ' ' ASN . 20.7 mt -67.46 -49.8 61.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.33 75.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.66 -19.72 65.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -66.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.242 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 pt -124.36 45.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.05 -26.57 10.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -71.59 -30.1 65.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 71' ' ' TYR . 15.3 mt -67.32 -34.91 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.825 ' CD2' HD11 ' A' ' 41' ' ' LEU . 34.5 m-85 -63.85 -31.13 72.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.44 -31.45 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.92 144.1 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -76.55 157.78 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.91 -31.39 66.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.69 -30.91 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.99 109.79 2.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -26.8 32.24 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.71 -30.24 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -43.36 93.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.52 -31.0 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -81.81 -35.86 29.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.98 -42.79 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.632 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -71.74 -49.88 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -59.88 -31.26 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -44.26 94.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 54' ' ' ILE . 62.5 m-85 -80.52 -31.62 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -69.56 87.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.33 99.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.73 -32.03 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CE1' HG11 ' A' ' 95' ' ' VAL . 15.1 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HG ' ' A' ' 93' ' ' LEU . 25.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 90' ' ' LEU . 3.1 t -131.87 -50.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 89' ' ' THR . 3.3 tp -177.35 -59.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.612 ' O ' HG23 ' A' ' 95' ' ' VAL . 12.5 t-80 -57.94 -29.56 65.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -74.25 -38.83 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' HD12 ' A' ' 88' ' ' LEU . 5.1 mt -73.86 -30.49 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.503 ' HA ' HD11 ' A' ' 10' ' ' LEU . 6.7 m -63.85 -40.83 97.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -58.29 -45.54 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -59.93 -50.66 72.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.38 -45.46 79.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.21 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.734 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -58.98 -29.12 66.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.279 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.72 -58.91 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.212 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.63 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -64.78 -55.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.234 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -59.44 -31.3 69.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 109' ' ' LEU . 1.6 m-20 -133.99 109.26 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -30.51 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.3 -27.95 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 HD12 ' A' ' 119' ' ' LEU . 10.6 mt -64.97 -28.59 69.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.632 HD21 HG23 ' A' ' 68' ' ' ILE . 11.9 mt -57.84 -34.06 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 p -82.54 -34.41 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -89.98 113.12 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.62 -35.3 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.89 60.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.91 -43.6 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.734 HD21 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -75.36 -33.95 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -61.51 -30.51 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.13 -42.59 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.611 HD12 HD21 ' A' ' 109' ' ' LEU . 39.7 mt -59.88 -46.36 89.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.58 79.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -63.41 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -55.47 34.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 127' ' ' VAL . 43.2 mt -72.04 -26.1 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.29 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.417 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.6 m -56.11 -30.19 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -85.29 -32.01 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -36.4 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.705 HG22 ' HB3' ' A' ' 17' ' ' SER . 21.6 t -71.15 -38.38 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.2 m -80.52 -33.98 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CD2' ' HG3' ' A' ' 130' ' ' LYS . 32.8 t80 -60.54 -52.59 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 129' ' ' TYR . 57.6 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.0 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.739 0.304 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -104.42 178.93 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.24 72.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -47.73 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -59.86 -30.36 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.29 -33.86 32.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.84 -31.24 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -62.91 -33.75 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ALA . 26.3 t -72.79 -42.89 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.11 -29.89 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.62 -34.64 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -77.07 -38.26 52.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 102' ' ' LEU . 10.8 p -56.76 -27.78 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.92 -16.33 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.315 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -26.75 23.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.743 0.306 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.451 ' CE ' HD11 ' A' ' 123' ' ' ILE . 15.3 ptp -86.62 -22.82 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -62.36 -53.41 58.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 111.319 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.4 -45.54 39.05 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.522 2.148 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -68.16 -34.0 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.967 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.15 160.24 17.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.07 171.98 12.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -65.33 146.73 54.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 123.55 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.36 152.94 50.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD23 ' HD1' ' A' ' 55' ' ' PHE . 1.4 mp -71.49 -35.23 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -62.53 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.88 -38.71 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.4 m -89.9 -26.41 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.74 77.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -60.22 -30.83 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -31.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 18.1 mt -80.53 -30.73 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -73.5 -25.07 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -32.95 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -105.7 163.91 12.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -113.49 -36.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -62.75 -39.02 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.23 -45.89 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.11 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -74.64 -30.49 61.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.8 ttt -66.54 -66.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 pt -138.94 30.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.16 -35.98 41.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.418 ' CD2' HG13 ' A' ' 54' ' ' ILE . 18.7 p-80 -63.85 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 53' ' ' HIS . 40.2 mt -70.46 -32.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.525 ' HD1' HD23 ' A' ' 34' ' ' LEU . 25.4 m-85 -68.31 -40.91 81.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -77.23 -29.88 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 168.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 152.48 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.36 30.26 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.6 38.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.98 161.59 22.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.58 -29.39 30.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.17 -32.43 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.804 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -62.42 -35.18 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.52 -30.63 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.31 -30.13 69.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 64' ' ' LYS . 20.2 mt -93.14 -41.46 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -60.34 -26.11 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.32 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.78 -34.72 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 p -74.53 92.81 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.67 97.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mt -75.02 -52.43 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 92' ' ' GLU . 89.9 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.0 mt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.823 0.344 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -176.13 75.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 93' ' ' LEU . 9.6 tt 66.48 -71.52 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.738 ' HB3' HD23 ' A' ' 88' ' ' LEU . 7.2 mp0 -58.97 -30.82 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 90' ' ' LEU . 84.5 mt -68.29 -30.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.478 ' HA ' HD11 ' A' ' 10' ' ' LEU . 9.4 m -76.05 -40.24 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.04 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.99 -45.94 72.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.47 -26.89 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -55.81 -31.56 62.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -96.93 -29.66 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.92 -33.71 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.26 -31.46 38.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 22' ' ' VAL . 3.3 mt -68.07 -38.68 82.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.29 -31.11 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.1 t -61.62 -53.72 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -62.17 -52.86 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.07 103.49 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -28.23 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.24 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.64 -25.72 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.85 -30.82 62.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.2 p -80.44 -31.35 37.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -92.77 97.5 10.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -41.9 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.85 -54.55 40.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -33.7 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' A' ' 99' ' ' ALA . 14.2 tp -73.79 -31.52 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -80.46 -30.7 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.08 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -48.83 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -59.19 -30.5 68.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -30.64 63.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.13 -35.93 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 127' ' ' VAL . 34.9 mt -74.92 -32.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.403 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.7 m -60.31 -54.56 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -31.42 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.39 -34.6 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -81.82 -37.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -74.04 -32.65 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -73.91 -60.41 2.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.781 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.821 0.343 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 -167.95 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.0 -29.68 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.23 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.45 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.97 -32.5 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.654 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.8 OUTLIER -60.76 -36.82 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.5 t -78.55 -37.32 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.5 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.88 -30.12 24.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.014 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -46.35 15.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.4 p -55.53 -28.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.281 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.14 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 28' ' ' THR . 29.4 mtt180 -90.22 -32.98 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.085 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ptp -85.37 -26.68 26.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.6 -61.66 6.84 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.508 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 26.6 Cg_endo -62.39 -38.77 50.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.573 2.182 . . . . 0.0 112.539 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.2 p -70.56 -30.34 67.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.41 145.04 75.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.17 146.67 41.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 160.41 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.71 167.92 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.41 ' OD2' HG13 ' A' ' 37' ' ' VAL . 5.5 p-10 -65.95 109.16 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.59 -27.67 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -76.17 -45.25 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -47.43 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG13 ' OD2' ' A' ' 33' ' ' ASP . 14.0 m -59.23 -30.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -39.37 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.71 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 48' ' ' ALA . 96.2 mt -70.92 -44.13 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -27.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.5 p -88.53 -33.65 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.58 174.6 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -132.59 -46.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.13 -51.26 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -31.22 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -71.04 -27.85 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -90.45 -27.07 19.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.77 -59.67 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 110' ' ' LEU . 11.9 pt -135.98 28.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.78 -39.36 7.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -59.25 -29.05 67.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 mt -72.48 -34.04 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 4.5 m-85 -60.74 -49.77 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -72.89 -25.34 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.0 162.27 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.38 176.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.99 -31.27 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -101.02 33.36 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.75 140.39 21.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.17 -34.43 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.515 2.143 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -60.23 -27.54 67.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.65 -45.58 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.27 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.43 -31.64 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.13 -38.13 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.699 HG23 HD21 ' A' ' 110' ' ' LEU . 11.3 mt -77.92 -34.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -64.31 -31.39 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.39 -55.15 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -66.86 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -69.14 71.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.79 101.78 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.4 mt -102.76 -31.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 92' ' ' GLU . 24.3 m-85 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 92' ' ' GLU . 12.5 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.915 0.388 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -98.98 -42.08 7.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.0 tp -176.25 -64.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 95' ' ' VAL . 13.8 t-160 -59.98 -31.09 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -67.12 -48.01 69.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.03 -30.88 69.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.781 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.76 -37.29 87.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -69.16 -30.65 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -62.92 -55.55 24.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.602 ' HB2' HD12 ' A' ' 10' ' ' LEU . 5.4 mt-10 -79.22 -22.36 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -54.6 -45.95 73.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.81 24.99 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.07 -34.13 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.037 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.25 -30.94 16.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 22' ' ' VAL . 40.8 mt -60.01 -42.23 93.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -59.88 -34.61 73.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.36 -42.62 94.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -72.17 -35.79 69.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -131.08 103.7 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -63.53 -29.7 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.0 -29.09 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 116' ' ' LEU . 13.7 mt -62.54 -28.78 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 68' ' ' ILE . 54.0 mt -58.92 -34.28 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.2 p -82.53 -30.53 29.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -103.54 103.14 13.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -77.48 -31.61 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.7 -52.64 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.02 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.551 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 20.2 tp -76.84 -30.83 56.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE2' HG21 ' A' ' 74' ' ' ILE . 2.9 t80 -71.07 -40.67 71.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.21 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.76 -30.6 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -73.74 -37.33 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -75.84 -30.28 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -62.16 -30.22 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.1 mt -95.53 -30.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 m -59.22 -31.11 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -80.19 -31.12 38.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -31.52 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 17' ' ' SER . 21.5 t -77.68 -37.55 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 m -71.16 -29.66 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -58.79 -66.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 94' ' ' THR . 77.1 mt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.791 0.329 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -109.94 -176.43 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.31 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.99 -42.39 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -31.02 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -29.36 63.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.79 88.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -60.54 -35.86 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.83 -30.06 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.19 -31.17 21.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -79.0 -31.82 44.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.34 -45.96 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.83 -27.98 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.0 -19.67 40.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.319 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -91.17 -29.78 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.218 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.511 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.5 ptp -88.58 -29.18 20.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.99 -53.13 68.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.7 Cg_exo -52.95 -30.75 49.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.469 2.113 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -87.81 -33.96 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.95 149.34 97.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.86 177.41 5.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.51 2.14 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 124.4 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.5 p -82.93 117.88 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.97 128.1 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HA ' HG22 ' A' ' 37' ' ' VAL . 2.0 mp -71.28 -29.57 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.45 -31.55 69.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 -57.78 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 55' ' ' PHE . 31.5 m -59.79 -30.71 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -60.98 -50.43 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -30.47 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER -69.8 -51.61 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 55' ' ' PHE . 21.5 mt -64.11 -36.92 85.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.95 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 40' ' ' LEU . 8.9 t -97.43 -33.04 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.92 149.79 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -114.48 -37.44 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -67.33 -44.09 79.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.91 -39.57 55.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.37 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -82.83 -27.19 31.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 ttt -82.74 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.49 45.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.197 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.83 -26.67 6.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.444 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.6 p-80 -65.72 -29.46 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.444 HG13 ' CD2' ' A' ' 53' ' ' HIS . 10.8 mt -66.01 -50.6 68.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 37' ' ' VAL . 83.5 m-85 -60.28 -37.38 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.94 -31.39 66.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 ttp -66.87 169.64 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -63.48 176.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.82 -31.6 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.62 31.55 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.74 142.97 25.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.69 -26.79 27.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.509 2.139 . . . . 0.0 112.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -59.89 -34.35 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' HD11 ' A' ' 68' ' ' ILE . 4.2 tttp -56.09 -46.75 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.77 -30.31 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.05 -37.41 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.49 -42.59 78.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 104' ' ' VAL . 17.8 mt -71.27 -41.37 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.85 -26.65 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.68 -44.7 40.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -80.08 -40.22 28.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.3 p -70.06 93.53 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB1' ' ND2' ' A' ' 96' ' ' ASN . . . -157.06 -48.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt 69.66 -65.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 88' ' ' LEU . 86.8 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 75' ' ' TYR . 27.0 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.907 0.384 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.1 p -83.69 -166.6 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.18 -30.4 58.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 95' ' ' VAL . 17.5 t-80 -85.22 -41.57 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -64.24 -32.95 74.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 93' ' ' LEU . 12.4 mt -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.57 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.4 m -74.5 -29.94 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' A' ' 75' ' ' TYR . 35.7 t -71.1 -30.25 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . 0.635 ' ND2' ' HB1' ' A' ' 73' ' ' ALA . 26.1 t-20 -66.41 -31.22 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 -30.74 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.96 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.05 20.82 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.337 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.0 -37.38 9.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -83.14 -31.01 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.429 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -69.92 -42.03 73.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 116' ' ' LEU . 1.3 m -60.1 -31.51 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.577 ' HA ' HD13 ' A' ' 68' ' ' ILE . 29.8 t -61.69 -46.23 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.28 -37.76 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.598 ' HB2' HD12 ' A' ' 109' ' ' LEU . 54.4 m-20 -114.86 100.55 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.416 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -66.83 -29.35 69.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.82 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.632 HD21 HD12 ' A' ' 119' ' ' LEU . 10.5 mt -59.63 -33.59 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.54 -30.02 68.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -84.62 -31.04 24.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -102.17 114.19 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -87.77 -33.01 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.72 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.37 -50.57 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.66 HD11 ' HB1' ' A' ' 99' ' ' ALA . 25.1 tp -61.83 -35.34 77.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.42 -30.82 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.227 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.632 HD12 HD21 ' A' ' 109' ' ' LEU . 56.9 mt -71.69 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -67.46 -37.15 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -30.85 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -60.63 -38.27 84.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.3 mt -92.27 -33.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -63.47 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -89.87 -30.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.73 -41.43 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -65.41 -56.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -30.92 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -60.07 -61.4 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' A' ' 94' ' ' THR . 2.7 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 179.46 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.11 98.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -55.43 25.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -63.03 -47.06 84.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.0 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.07 -41.81 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 t -61.97 -33.04 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.8 t -68.1 -37.07 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HB2' HE22 ' A' ' 101' ' ' GLN . . . -77.08 -34.75 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.35 -49.24 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -59.46 -42.55 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.5 mm-40 -69.9 -16.25 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 28' ' ' THR . 2.3 mmt-85 -85.81 -42.31 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 123' ' ' ILE . 3.4 ptp -77.5 -25.0 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.25 -57.17 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.577 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.8 Cg_endo -65.42 -29.67 53.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.421 2.081 . . . . 0.0 112.628 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 24' ' ' ARG . 14.4 p -78.68 -29.51 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.09 150.11 51.68 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.32 173.94 10.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.585 2.19 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -177.14 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.39 170.7 15.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.85 131.07 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -83.98 -28.95 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -57.8 -30.55 65.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.19 -46.64 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.65 -28.59 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -48.09 79.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.88 -31.05 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.33 -44.25 75.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 55' ' ' PHE . 58.5 mt -60.93 -39.23 88.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 p -95.62 -33.63 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.58 111.23 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -75.01 -37.4 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.26 -37.5 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.22 -28.03 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.53 -59.46 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.83 HD11 HG22 ' A' ' 111' ' ' THR . 16.7 pt -134.33 36.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.291 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.35 -27.66 17.27 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.51 -28.55 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.6 -31.24 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.458 ' CD2' HD11 ' A' ' 41' ' ' LEU . 39.6 m-85 -66.37 -39.72 89.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.34 -29.1 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 156.3 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -72.08 -178.24 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.48 39.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.87 107.37 57.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.3 -33.29 28.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.479 2.119 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -44.53 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.66 -34.81 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.6 -40.92 55.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 103' ' ' CYS . 21.7 mt -68.27 -47.01 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.33 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -70.18 -59.46 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -65.67 -33.58 76.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -90.9 79.74 5.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.85 -51.11 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.3 mt 69.68 -66.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 92' ' ' GLU . 95.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.634 HD22 ' HB3' ' A' ' 92' ' ' GLU . 28.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.831 0.348 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 t -114.04 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp 69.51 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 95' ' ' VAL . 10.9 t-80 -50.87 -27.47 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.634 ' HB3' HD22 ' A' ' 88' ' ' LEU . 21.1 mt-10 -80.43 -29.23 37.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.0 mt -75.19 -34.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.7 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -62.46 -48.36 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -58.13 -28.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.17 -56.87 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.42 -28.47 56.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.41 -50.14 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.274 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.87 -28.44 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.215 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.46 -57.98 10.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.239 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.491 HE22 ' HB2' ' A' ' 19' ' ' ALA . 35.7 mt-30 -59.71 -32.98 71.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 109' ' ' LEU . 16.2 mt -66.08 -46.41 77.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 m -60.33 -35.24 75.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -61.21 -51.77 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -62.91 -34.2 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -130.96 112.27 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -29.73 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.57 70.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 102' ' ' LEU . 11.8 mt -59.04 -29.24 67.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.55 -45.52 85.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.83 HG22 HD11 ' A' ' 51' ' ' ILE . 69.6 p -71.68 -32.21 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.68 115.0 23.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -93.99 -32.2 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -69.71 -49.43 53.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -35.2 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 99' ' ' ALA . 44.0 tp -76.08 -38.26 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -66.53 -26.41 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.64 -53.2 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.05 -50.14 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.92 52.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -58.68 -29.4 66.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.48 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.015 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.498 HD11 ' CE ' ' A' ' 25' ' ' MET . 33.3 mt -73.17 -32.62 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -64.08 -29.4 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -76.01 -35.17 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -49.6 73.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.414 HG22 ' HB3' ' A' ' 17' ' ' SER . 21.5 t -61.63 -44.23 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.6 m -64.33 -24.57 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.02 -62.9 1.36 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 94' ' ' THR . 57.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.332 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.33 177.85 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.724 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -77.64 -30.62 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.24 -44.55 16.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.39 -48.38 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.61 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -60.33 -39.49 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -31.02 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -70.8 -55.93 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -30.17 67.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.43 -37.57 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.05 -46.27 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.16 -29.88 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.1 -14.09 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.64 -28.03 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.632 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.6 ptp -88.31 -30.71 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -60.23 -53.25 66.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.5 Cg_exo -54.15 -47.7 25.59 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.509 2.14 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -70.95 -33.35 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 29' ' ' LEU . 12.6 mt -62.32 132.88 94.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 -178.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.47 2.114 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -118.93 162.52 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -125.11 140.61 52.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.09 108.72 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.69 -30.89 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -60.18 -30.88 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.69 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.63 -29.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.2 -50.55 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -31.17 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.36 -44.07 59.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -29.6 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 p -90.35 -31.44 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.33 101.22 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -30.97 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -58.86 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.85 -38.65 91.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -84.24 -29.98 26.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -66.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.651 HD11 HG22 ' A' ' 111' ' ' THR . 8.4 pt -130.15 45.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.68 -27.15 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.94 -29.22 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 0.0 110.984 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.5 mt -69.63 -30.65 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 19.4 m-85 -62.86 -42.39 99.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.87 -30.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 127.04 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.41 153.66 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -62.99 -26.52 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.99 51.81 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 1.2 t70 -135.24 99.02 12.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.75 -24.18 12.76 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.394 2.063 . . . . 0.0 112.449 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -68.82 -27.59 65.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.29 -36.07 65.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.96 -30.17 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -78.5 -36.08 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.25 -47.64 41.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.777 HD11 ' HD2' ' A' ' 64' ' ' LYS . 4.5 mt -66.09 -43.32 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.254 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -68.4 -41.31 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -59.23 -38.5 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -88.71 -31.56 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -64.51 94.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.59 128.29 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.2 mt -119.37 -37.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.006 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 92' ' ' GLU . 5.4 mt . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.2 t -132.99 -53.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.408 ' H ' HG23 ' A' ' 89' ' ' THR . 1.3 tp -168.32 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -61.25 -30.74 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 88' ' ' LEU . 28.5 mt-10 -75.42 -29.87 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' HD13 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -77.4 -39.73 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.649 ' HA ' HD11 ' A' ' 10' ' ' LEU . 8.0 m -59.24 -31.15 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.9 t -64.44 -55.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -59.77 -43.02 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -54.75 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.0 79.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.66 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -79.73 -43.82 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.45 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.632 HD21 ' SD ' ' A' ' 25' ' ' MET . 14.9 mt -74.98 -41.47 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.96 -31.55 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.4 t -64.24 -51.21 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -53.93 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -114.08 112.58 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -67.4 -27.82 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.91 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.218 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.0 mt -57.21 -28.69 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.15 -30.44 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 51' ' ' ILE . 70.7 p -80.42 -39.3 28.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -84.31 122.97 29.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.81 -31.22 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.83 -43.16 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -65.98 -44.69 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.47 -30.01 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.87 -29.54 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.28 -32.17 33.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.6 -48.06 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.2 68.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.8 -30.15 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.864 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.1 mt -89.95 -35.0 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -61.02 -30.16 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -37.86 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.84 -43.71 67.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 123' ' ' ILE . 32.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.1 m -96.37 -23.15 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -57.18 -46.76 82.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.113 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.119 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 94' ' ' THR . 84.1 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.803 0.335 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -82.66 -177.99 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.22 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.95 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.43 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.98 85.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -40.7 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.4 t -70.88 -48.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -65.12 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -34.5 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -48.33 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 11.2 p -59.47 -32.51 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -23.66 58.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.82 -48.73 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.691 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.8 ptp -69.51 -27.0 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.6 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.29 -61.31 6.85 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.593 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.6 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 19.2 Cg_endo -60.4 -42.65 39.59 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.555 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -29.42 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.61 133.83 94.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.751 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.85 -168.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.525 2.15 . . . . 0.0 112.397 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -131.39 157.97 42.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 163.27 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.6 131.07 35.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.0 -30.69 67.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.91 -38.31 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.71 -54.11 40.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 40' ' ' LEU . 15.5 m -58.9 -29.51 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -59.01 -46.14 88.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.34 -30.84 71.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 mt -59.64 -34.16 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.9 mt -81.17 -35.62 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -63.44 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 40' ' ' LEU . 6.5 t -81.15 -32.3 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.644 ' CB ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -96.24 162.37 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.98 -32.17 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -35.1 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD12 ' CB ' ' A' ' 44' ' ' ASN . 22.5 mt -71.6 -40.29 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -23.55 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.68 -29.82 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.084 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.4 ttp -80.09 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.2 pt -124.05 37.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.69 -27.35 22.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.426 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.1 p-80 -76.2 -31.54 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 51' ' ' ILE . 7.5 mt -64.2 -37.45 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.737 ' CD2' HD11 ' A' ' 41' ' ' LEU . 26.0 m-85 -68.0 -31.39 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -82.34 -32.92 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.7 166.42 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -169.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.05 31.44 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.27 30.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.87 141.69 23.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 -27.93 25.24 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -78.18 -28.25 48.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HG2' HD11 ' A' ' 68' ' ' ILE . 68.8 tttt -57.57 -45.26 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.83 -31.92 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.02 -45.25 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.19 -41.03 94.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 64' ' ' LYS . 15.0 mt -71.39 -33.4 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -76.34 -43.39 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.05 -35.74 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -81.62 -31.09 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 87.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.59 118.34 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 117' ' ' PHE . 4.6 mt -112.07 -34.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 92' ' ' GLU . 26.8 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.605 HD13 ' HG ' ' A' ' 93' ' ' LEU . 1.8 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.775 0.321 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 t -127.69 -51.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp -176.31 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.5 t-80 -58.35 -50.71 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 75' ' ' TYR . 15.5 mp0 -60.23 -30.47 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.605 ' HG ' HD13 ' A' ' 88' ' ' LEU . 4.7 mt -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.89 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 91' ' ' HIS . 31.8 t -70.05 -45.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.2 -31.25 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.52 -34.56 18.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -60.37 -36.74 78.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.37 24.03 6.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.277 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.55 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.91 -34.04 45.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.691 HD21 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.07 -31.02 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.05 -49.47 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -65.36 -50.42 65.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.37 106.62 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.64 -25.15 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.58 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.91 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 68' ' ' ILE . 7.6 mt -57.55 -37.82 73.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.6 p -81.18 -31.84 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -93.84 104.18 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -85.63 -33.2 21.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -82.99 -35.59 25.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.797 HD11 ' HB1' ' A' ' 99' ' ' ALA . 30.7 tp -73.1 -47.49 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CD1' HG21 ' A' ' 74' ' ' ILE . 25.7 t80 -60.19 -30.74 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.7 72.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.73 -40.18 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.27 -30.49 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.79 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -35.25 76.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 29.0 mt -79.68 -38.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.54 -30.61 69.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -76.7 -29.86 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.66 -43.55 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -60.1 -30.86 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.9 m -77.98 -28.03 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -57.11 -67.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 94' ' ' THR . 44.5 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.852 0.358 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -113.93 176.97 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.66 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.03 -31.86 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -49.14 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 m -60.47 -30.0 69.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 14' ' ' ALA . 28.5 t -73.17 -30.32 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.6 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.23 -33.7 37.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.31 -45.82 37.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.3 p -58.49 -28.94 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.79 -19.53 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -84.03 -26.72 28.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.561 ' SD ' HD21 ' A' ' 102' ' ' LEU . 10.0 ptp -86.63 -25.65 24.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.302 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.83 -53.68 60.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 63.2 Cg_exo -51.29 -32.91 43.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.547 2.165 . . . . 0.0 112.372 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -86.2 -31.02 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 26' ' ' ALA . 25.5 mt -59.43 147.9 75.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.45 153.77 60.74 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.529 2.153 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -68.26 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -84.02 -179.96 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.67 141.8 27.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.44 -30.92 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -42.98 65.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.85 -31.59 69.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.9 m -86.52 -28.99 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -58.15 -46.74 85.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.84 -25.58 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.87 -10.04 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.761 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.4 mt -93.69 -65.81 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.754 0.311 . . . . 0.0 111.118 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -23.34 16.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.479 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.3 t -80.11 -32.08 39.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.347 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -97.08 175.87 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -122.06 -42.61 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -63.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.56 -40.45 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' LEU . . . -61.5 -26.95 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -93.49 -38.26 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 ttt -66.4 -66.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HB3' ' A' ' 110' ' ' LEU . 2.3 pt -129.16 38.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -90.76 -28.63 15.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -75.36 -27.62 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.698 HD11 ' CE2' ' A' ' 71' ' ' TYR . 40.9 mt -66.02 -38.78 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 41' ' ' LEU . 41.3 m-85 -65.04 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.32 -28.19 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.33 174.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -170.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -125.9 71.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.34 144.16 41.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.05 -39.76 84.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.63 -29.45 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.35 -53.12 61.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -65.19 -30.7 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.69 -30.12 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -81.3 -45.46 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 64' ' ' LYS . 8.9 mt -66.25 -44.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -59.62 -31.22 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.69 -37.34 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 54' ' ' ILE . 17.3 m-85 -78.41 -46.29 20.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -69.1 77.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.44 89.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.425 HD13 ' HD1' ' A' ' 117' ' ' PHE . 2.8 mt -63.41 -39.23 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.834 0.35 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 t -136.15 -51.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -167.86 -66.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.764 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -61.41 -31.85 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.21 -48.27 73.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.84 -38.68 91.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.769 ' HA ' HD21 ' A' ' 10' ' ' LEU . 1.2 m -62.78 -28.87 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.1 t -90.5 -30.92 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.243 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -62.67 -52.14 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -27.28 42.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.146 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -56.07 -29.88 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.403 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -91.38 -22.2 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.378 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.25 -39.86 73.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.286 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -81.6 -31.42 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.561 HD21 ' SD ' ' A' ' 25' ' ' MET . 3.0 mt -68.73 -31.17 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.4 m -75.7 -30.92 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 100' ' ' ALA . 27.4 t -64.63 -65.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -59.15 -30.62 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -120.08 105.26 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -29.88 62.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.45 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 102' ' ' LEU . 6.2 mt -65.17 -29.75 70.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.581 HD21 HG23 ' A' ' 68' ' ' ILE . 14.3 mt -58.19 -31.21 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.82 -34.23 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -92.49 82.89 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -69.57 -31.32 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -46.97 78.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.444 HD11 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -66.96 -42.27 85.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HD1' HD13 ' A' ' 74' ' ' ILE . 60.9 t80 -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.42 -47.41 56.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.98 -45.18 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -60.12 -29.57 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.264 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -79.2 -30.0 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.01 -30.6 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 127' ' ' VAL . 25.7 mt -77.92 -30.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.483 ' HA ' HG22 ' A' ' 94' ' ' THR . 47.6 p -69.32 -29.76 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -80.39 -30.58 37.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.0 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -34.89 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 123' ' ' ILE . 26.9 t -70.28 -48.29 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.8 p -57.69 -30.08 65.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -75.76 -50.83 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.9 -176.29 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.56 -30.68 63.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.97 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.68 -30.69 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.17 -31.08 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.27 -31.25 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -75.04 -43.61 52.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -69.12 -31.63 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -30.67 64.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.07 -31.18 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.42 -41.02 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG22 ' HD2' ' A' ' 105' ' ' LYS . 12.4 p -58.7 -31.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.77 -20.59 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -27.53 23.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.651 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.2 ptp -87.94 -27.02 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.12 -53.06 67.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 48.9 Cg_exo -55.7 -42.67 65.18 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.45 2.1 . . . . 0.0 112.275 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -72.78 -31.44 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.52 156.04 25.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.26 169.93 17.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -102.17 137.77 40.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -122.55 133.41 54.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.83 120.91 26.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 11.5 mt -60.85 -30.68 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.59 -46.02 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -58.46 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.94 -31.47 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -62.21 -31.58 72.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.43 -30.98 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.97 -38.74 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -66.58 -26.34 67.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -80.3 -32.69 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -100.27 164.99 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 -50.59 2.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -41.5 91.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.24 -34.57 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 -28.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.98 -67.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 110' ' ' LEU . 12.9 pt -121.98 -3.3 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.68 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.86 -27.68 67.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -79.07 -29.34 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.78 -30.73 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.85 -40.25 94.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -30.63 69.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 148.55 32.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.33 168.34 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.76 -30.53 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 47.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -120.59 102.35 45.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.05 -26.78 10.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.516 2.144 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -73.79 -26.79 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -56.55 -50.63 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -31.63 71.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.65 -32.62 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.85 -42.31 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.01 -34.17 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -60.35 -50.3 74.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -70.47 -29.3 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.4 m -69.88 69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.58 114.71 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.722 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.4 mt -115.05 -37.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 93' ' ' LEU . 3.1 mt . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 90' ' ' LEU . 5.8 t -143.44 -48.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 89' ' ' THR . 6.2 tp -177.56 -61.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 95' ' ' VAL . 58.6 t-80 -62.44 -41.74 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.683 ' CD2' HD13 ' A' ' 88' ' ' LEU . 7.0 mt -78.05 -34.51 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.65 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.2 m -68.62 -16.1 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.405 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -81.54 -48.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.739 0.305 . . . . 0.0 111.408 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -74.97 -30.52 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.233 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.68 -31.38 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -67.61 -42.37 82.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -74.44 -26.57 60.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.05 -58.45 7.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.73 -36.19 76.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.44 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -61.18 -47.09 87.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -37.42 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -63.94 -49.83 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HD2' HG22 ' A' ' 22' ' ' VAL . 11.3 mttm -66.77 -31.64 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.93 104.88 6.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -29.3 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.73 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.43 HD21 ' HG2' ' A' ' 115' ' ' GLU . 5.6 mt -64.71 -29.05 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.3 mt -55.18 -30.37 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 45.8 p -85.14 -37.35 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.17 121.72 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -96.3 -48.08 5.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.46 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.43 ' HG2' HD21 ' A' ' 109' ' ' LEU . 4.5 tt0 -76.21 -35.41 59.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp -72.41 -53.49 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.722 ' HD1' HD13 ' A' ' 74' ' ' ILE . 38.7 t80 -59.94 -30.32 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.6 -51.51 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.29 -47.96 83.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.03 -29.88 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.61 -30.67 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -62.51 -56.07 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 127' ' ' VAL . 4.5 mt -63.73 -30.1 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -31.56 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.84 -31.32 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -76.12 -30.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -33.53 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -68.68 -54.48 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 97' ' ' GLU . 9.7 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.765 0.317 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.99 -179.39 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.67 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.14 -32.85 24.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.83 6.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.22 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -29.49 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.564 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -76.34 -50.07 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.64 -29.29 66.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.16 -31.01 43.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -47.33 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.0 p -58.9 -29.06 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.01 -21.38 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 28' ' ' THR . 1.8 mmp_? -85.78 -50.05 7.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.405 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.0 ptp -69.66 -23.46 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.77 -60.9 8.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -65.3 -32.77 50.37 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.623 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.8 p -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.51 159.15 77.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.51 152.62 70.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.559 2.172 . . . . 0.0 112.304 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 140.86 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -120.63 136.82 54.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.07 -32.55 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -64.71 -32.75 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.88 -40.94 83.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 m -82.47 -34.1 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -62.49 -46.31 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -30.8 70.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.51 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 70.3 mt -69.82 -39.67 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -29.6 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -90.88 -33.62 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -89.81 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -137.21 -60.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -59.24 -42.23 90.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 44' ' ' ASN . 71.7 mt -60.31 -29.9 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.982 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -93.93 -27.84 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -27.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 ttt -84.19 -67.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.8 pt -126.11 45.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.27 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -30.07 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -67.55 -30.48 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.77 -32.55 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -71.57 -35.25 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.93 -30.79 31.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -179.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -84.05 158.52 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -88.59 -31.11 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.4 56.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.07 146.08 59.27 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.94 -33.38 12.22 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.611 2.208 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -66.42 -26.93 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -56.3 22.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.01 -31.48 71.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.53 -49.03 75.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.912 HG23 HD21 ' A' ' 110' ' ' LEU . 7.7 mt -63.78 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -62.68 -30.33 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -67.26 -54.66 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -69.89 -26.91 64.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 m -59.9 86.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.24 122.55 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.7 mt -126.47 18.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.354 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HE2' HG11 ' A' ' 95' ' ' VAL . 12.3 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.014 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' A' ' 92' ' ' GLU . 1.2 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.748 0.308 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -81.56 -169.84 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.58 -58.59 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -59.24 -29.28 67.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.628 ' HB3' HD23 ' A' ' 88' ' ' LEU . 10.8 mt-10 -70.95 -46.37 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.15 -29.61 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -72.51 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' HIS . 27.2 t -65.83 -36.71 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.48 -32.43 68.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' HD12 ' A' ' 10' ' ' LEU . 2.4 tt0 -100.05 -28.7 12.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -57.98 -36.99 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -94.74 17.39 13.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.14 -38.79 8.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -76.04 -34.22 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 22' ' ' VAL . 7.1 mt -65.87 -30.72 71.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.46 -31.33 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ALA . 22.5 t -61.31 -62.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -59.18 -49.71 76.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 109' ' ' LEU . 74.0 m-20 -111.12 106.4 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -70.23 -30.06 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.4 mt -59.35 -26.86 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 51' ' ' ILE . 22.0 mt -57.87 -34.25 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.063 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -81.62 -31.44 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.35 93.15 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -77.41 -41.35 40.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 99' ' ' ALA . 19.0 tp -66.26 -44.48 83.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 74' ' ' ILE . 71.3 t80 -66.14 -30.64 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.16 -30.67 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.29 -41.29 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -60.6 -41.46 94.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -62.19 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -30.0 71.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.564 HG21 HG13 ' A' ' 18' ' ' VAL . 28.0 mt -89.07 -28.28 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 t -57.68 -33.41 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -80.23 -30.12 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.05 -30.36 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.4 t -81.27 -45.34 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.3 m -57.96 -28.17 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.85 -66.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 94' ' ' THR . 97.0 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.798 0.332 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.29 169.78 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.99 93.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.47 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.71 -36.84 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.72 -45.16 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.06 -33.65 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -66.19 -30.23 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.21 -29.39 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.6 -30.91 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.8 -44.25 23.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 HD23 ' A' ' 102' ' ' LEU . 12.0 p -58.3 -31.25 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -80.42 -25.66 38.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -32.94 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.434 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.3 ptp -87.18 -23.43 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.749 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -53.72 -53.22 59.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.28 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 59.6 Cg_exo -51.67 -45.97 34.77 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.577 2.184 . . . . 0.0 112.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -69.72 -32.56 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 119' ' ' LEU . 19.2 mt -63.72 148.1 94.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.43 160.61 4.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.496 2.131 . . . . 0.0 112.228 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.06 107.32 15.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -109.55 125.94 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.91 154.77 38.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.0 -28.67 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.87 -32.11 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.33 -58.02 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 m -59.26 -30.0 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -31.06 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.91 -29.67 23.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 37' ' ' VAL . 1.3 mt -59.58 -28.13 66.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -70.71 -33.53 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -29.09 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 40' ' ' LEU . 9.4 t -89.15 -31.06 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -101.86 -174.33 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.97 -48.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -31.59 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.7 mt -77.12 -36.39 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -76.17 -29.22 57.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -84.45 -26.78 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 ttt -82.59 -65.96 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.622 HD13 ' HB3' ' A' ' 110' ' ' LEU . 22.6 pt -127.48 41.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.85 -28.35 26.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -74.53 -31.37 62.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.19 -31.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 41' ' ' LEU . 2.4 m-85 -60.06 -46.83 88.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.74 -24.4 44.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 156.29 3.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.78 175.38 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.62 -36.1 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.7 -27.37 66.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.98 119.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.46 -29.79 16.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -63.51 -24.15 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE2' HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -54.93 -43.73 73.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.65 -30.07 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.23 -37.13 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.68 -41.77 64.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.586 HD11 ' HE2' ' A' ' 64' ' ' LYS . 8.5 mt -64.94 -51.35 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.2 -34.17 73.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -67.7 -43.25 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -78.24 -19.65 53.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -95.88 39.34 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.771 0.32 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.02 71.77 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.402 HG23 HH12 ' A' ' 113' ' ' ARG . 21.3 mt -78.1 -40.58 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.514 ' CE1' HG11 ' A' ' 95' ' ' VAL . 34.7 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.733 HD22 HD23 ' A' ' 93' ' ' LEU . 1.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.708 HG22 ' OE1' ' A' ' 92' ' ' GLU . 2.0 t -157.28 -50.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.97 -72.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -64.71 -30.8 71.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.01 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.708 ' OE1' HG22 ' A' ' 89' ' ' THR . 1.2 mp0 -68.44 -29.99 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.733 HD23 HD22 ' A' ' 88' ' ' LEU . 50.9 mt -72.34 -37.48 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.718 ' HA ' HD11 ' A' ' 10' ' ' LEU . 23.7 m -61.96 -29.48 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.514 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.5 t -86.16 -42.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.299 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -59.87 -34.54 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -30.2 23.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.0 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.74 -29.46 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.22 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.01 -47.43 58.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.253 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.57 -30.05 68.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 109' ' ' LEU . 5.5 mt -81.33 -32.08 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.23 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 100' ' ' ALA . 31.1 t -63.38 -51.65 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -59.41 -31.67 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.573 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 8.7 t70 -135.71 109.88 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -27.6 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.573 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -62.17 -27.7 69.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.254 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 116' ' ' LEU . 9.0 mt -58.24 -27.18 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.622 ' HB3' HD13 ' A' ' 51' ' ' ILE . 10.0 mt -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.473 HG23 HD11 ' A' ' 51' ' ' ILE . 6.4 p -79.16 -31.01 43.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.798 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -84.65 123.13 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.402 HH12 HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -100.06 -57.19 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -29.44 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.13 -56.87 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 109' ' ' LEU . 29.8 tp -58.43 -29.19 65.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -72.72 -26.85 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.0 -17.07 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.599 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 29' ' ' LEU . 66.4 mt -89.35 -60.25 2.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.172 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.79 32.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.562 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -79.69 -27.15 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.278 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -64.42 -34.19 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.188 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 127' ' ' VAL . 27.1 mt -82.19 -30.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.362 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -26.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -80.49 -30.45 37.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.85 -40.55 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 123' ' ' ILE . 24.5 t -63.0 -28.65 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.288 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -39.4 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.66 -69.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.855 0.359 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -100.37 -173.23 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.86 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.93 -43.67 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.44 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -31.18 72.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -66.41 -31.29 71.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.7 t -74.98 -34.38 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.711 ' HB2' HE22 ' A' ' 101' ' ' GLN . . . -74.11 -30.9 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.81 -30.73 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -79.94 -48.07 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' LEU . 11.0 p -56.11 -42.11 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mm-40 -65.7 -17.74 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -91.65 -32.07 15.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.487 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.5 ptp -89.64 -28.54 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.31 -52.52 73.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 45.0 Cg_exo -56.5 -30.93 84.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.489 2.126 . . . . 0.0 112.216 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -85.11 -28.3 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ALA . 10.6 mt -56.32 120.87 38.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.12 -178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -102.34 152.49 21.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.19 167.61 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.74 106.35 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.19 -28.99 70.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.47 -30.52 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.619 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 m -59.39 -28.77 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -61.48 -48.33 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.98 -29.42 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 37' ' ' VAL . 8.5 mt -59.7 -29.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 35.6 mt -68.12 -44.82 75.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -28.14 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.4 p -88.63 -33.97 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -114.65 103.1 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -65.06 -52.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -34.18 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -71.84 -29.66 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -29.63 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.402 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 1.5 ttp -77.69 -69.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 pt -122.01 41.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.93 -38.52 2.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -64.81 -28.19 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.8 mt -68.95 -31.12 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.95 -57.06 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.5 -27.09 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.71 154.27 9.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.19 165.34 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -94.39 -30.29 14.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.79 50.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.47 141.9 42.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.81 -40.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.52 2.147 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.75 -28.8 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.853 ' HE2' HD11 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -58.1 -37.11 73.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.22 94.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.26 -46.26 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.853 HD11 ' HE2' ' A' ' 64' ' ' LYS . 9.5 mt -72.68 -33.33 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -65.64 -30.97 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -74.3 -37.69 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 56.2 m-85 -86.0 -29.0 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.0 p -67.68 74.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.34 101.29 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 HD23 ' A' ' 116' ' ' LEU . 12.9 mt -102.38 16.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.387 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.864 ' CE1' HG11 ' A' ' 95' ' ' VAL . 23.0 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.848 0.356 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.3 p -71.62 -170.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.9 -31.85 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -84.87 -40.62 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 68.9 mt-10 -62.45 -31.27 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -39.48 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 29.8 m -73.72 -35.21 65.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.864 HG11 ' CE1' ' A' ' 75' ' ' TYR . 26.2 t -59.63 -38.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.4 -60.12 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.31 -24.78 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.57 -48.05 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.22 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -99.97 35.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.55 -41.78 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.711 HE22 ' HB2' ' A' ' 19' ' ' ALA . 23.8 mt-30 -81.58 -31.33 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 22' ' ' VAL . 11.5 mt -59.73 -32.58 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.29 -33.21 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.638 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.7 t -61.62 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.76 71.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' LEU . 10.7 m-20 -126.08 101.65 6.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.43 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.36 71.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 106' ' ' ASP . 6.6 mt -60.06 -26.54 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 68' ' ' ILE . 8.6 mt -55.16 -38.83 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.5 p -79.48 -31.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.57 102.69 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -87.68 -25.45 23.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -84.89 -32.94 22.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.105 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.32 -37.23 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 74' ' ' ILE . 19.8 tp -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.031 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.38 -44.06 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.01 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.66 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.97 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.38 -56.84 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.273 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -60.58 -29.15 69.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -50.44 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.043 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 127' ' ' VAL . 21.1 mt -77.81 -30.71 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -56.46 -54.23 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.23 -29.74 68.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.58 -52.77 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -58.3 -36.24 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.2 m -76.76 -46.96 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.94 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.135 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 60.28 166.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.98 -64.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.56 123.82 5.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.609 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.08 -176.15 3.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.346 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.75 -178.17 6.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.26 -121.06 1.68 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.467 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -110.3 152.17 26.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.835 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HB1' HD22 ' A' ' 93' ' ' LEU . . . -103.93 -71.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.7 mt -85.53 169.81 13.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -92.07 169.14 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.9 -30.89 71.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.24 -32.69 22.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.057 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.14 -35.44 66.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.23 71.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.62 -38.74 92.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -66.06 -30.19 70.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.9 t -76.96 -38.43 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.432 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -77.33 -30.21 53.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -78.95 -30.85 44.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.2 m -80.17 -39.4 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.536 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.2 p -69.14 -30.24 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.56 -20.92 38.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.219 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.61 -28.1 26.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.113 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.598 ' SD ' HD21 ' A' ' 102' ' ' LEU . 17.1 ptp -86.9 -25.85 24.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.212 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.82 -53.74 59.64 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.283 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.767 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 69.1 Cg_exo -50.92 -51.28 11.52 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.541 2.16 . . . . 0.0 112.329 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -70.63 -31.02 67.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.92 139.73 85.71 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.39 167.41 26.73 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.322 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.72 12.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -110.27 141.15 43.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.07 106.0 2.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.5 mt -75.13 -31.19 61.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -71.58 -32.94 68.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -71.01 -55.02 9.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.0 m -59.41 -27.18 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.274 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -56.66 -56.86 16.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.91 -30.7 68.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.08 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.32 -51.72 41.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -26.25 64.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -82.09 -33.49 29.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.01 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -101.77 175.25 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -129.07 -49.8 1.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.86 -39.45 85.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -76.47 -30.95 57.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.06 -37.29 69.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.34 -31.27 26.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ttt -66.72 -67.94 0.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.582 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.9 pt -134.9 34.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.8 -42.89 7.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.533 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.436 ' CD2' HG13 ' A' ' 54' ' ' ILE . 19.9 p-80 -59.06 -27.85 65.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.742 0.306 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.436 HG13 ' CD2' ' A' ' 53' ' ' HIS . 24.3 mt -69.51 -33.93 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -69.61 -42.1 74.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -73.01 -32.07 64.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.11 177.93 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -176.17 4.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -99.15 -40.87 7.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.28 57.79 4.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.09 117.42 17.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.62 -27.78 26.97 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.412 2.075 . . . . 0.0 112.377 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -69.13 -30.94 69.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -59.84 -55.33 35.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.24 -31.14 68.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.74 -30.32 64.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -82.72 -35.04 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.659 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -78.36 -44.64 26.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -59.9 -32.29 70.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -79.11 -42.52 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -73.04 -31.24 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 m -71.0 77.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -139.83 120.64 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.8 mt -111.65 -32.25 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.514 ' HE2' HG21 ' A' ' 95' ' ' VAL . 29.3 m-85 -119.33 -64.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -58.06 172.01 3.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.85 -172.16 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -130.99 31.33 4.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -163.86 124.7 2.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.99 113.03 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.834 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -134.03 156.95 47.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.0 mtt180 59.93 -174.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -99.74 31.49 3.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -93.73 176.63 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 176.68 38.36 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.547 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 87.11 2.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -154.97 -46.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.797 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD22 HD23 ' A' ' 93' ' ' LEU . 10.0 mt -117.76 133.47 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.797 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 t -123.92 -44.39 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.9 tp -176.11 -49.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.549 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.2 t-160 -69.47 -48.41 60.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HB3' HD23 ' A' ' 88' ' ' LEU . 3.4 mp0 -60.74 -31.46 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.523 HD23 HD22 ' A' ' 88' ' ' LEU . 33.6 mt -63.46 -33.12 74.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 10' ' ' LEU . 19.9 m -80.6 -39.37 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 91' ' ' HIS . 26.0 t -60.02 -31.01 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -57.62 10.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -72.71 -30.72 64.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.6 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -97.68 -32.3 11.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -60.49 -34.4 74.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -74.27 -31.51 62.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.598 HD21 ' SD ' ' A' ' 25' ' ' MET . 2.7 mt -73.28 -38.49 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 22.0 m -59.89 -31.11 69.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -60.43 -64.53 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -63.97 -32.49 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.636 ' HB2' HD12 ' A' ' 109' ' ' LEU . 6.2 m-20 -118.69 89.8 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -63.87 -25.22 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.002 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -71.2 -30.14 66.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.217 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.636 HD12 ' HB2' ' A' ' 106' ' ' ASP . 5.8 mt -58.2 -24.94 60.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.659 HD21 HG23 ' A' ' 68' ' ' ILE . 9.2 mt -56.7 -34.33 67.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.2 p -82.33 -39.28 23.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -78.41 101.86 7.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -45.38 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -48.18 81.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.03 -51.35 68.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.6 HD21 ' HB1' ' A' ' 99' ' ' ALA . 6.3 tp -64.65 -30.31 71.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.024 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -67.98 -29.52 68.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.68 -30.48 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 87.1 mt -71.12 -48.28 53.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.19 -42.12 90.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.3 mtp85 -61.96 -30.93 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.014 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -62.11 -46.25 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.481 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.3 mt -78.76 -32.44 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.9 t -59.96 -39.09 84.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -79.41 -30.96 42.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.53 -52.31 65.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -59.14 -42.71 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.212 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -27.18 68.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -56.98 -62.52 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.3 166.65 10.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -163.5 121.44 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 133' ' ' TYR . 1.3 m 60.19 171.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.461 ' H ' HG22 ' A' ' 132' ' ' THR . 4.0 m-85 -100.58 138.66 37.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -87.19 -67.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.605 ' O ' HG23 ' A' ' 136' ' ' THR . 70.2 p -113.69 -177.66 3.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 135' ' ' THR . 0.6 OUTLIER -168.34 107.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.02 31.21 20.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 124.39 -161.76 18.74 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.5 -173.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.646 2.231 . . . . 0.0 112.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.99 94.01 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.3 t -98.21 123.12 42.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.44 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -116.52 -40.84 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.61 152.86 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.46 -64.95 0.36 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.93 31.74 2.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 0.0 110.936 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.85 139.94 47.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -49.09 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.425 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -74.18 156.73 37.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.55 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.688 HD21 ' HA ' ' A' ' 94' ' ' THR . 41.7 mt -65.09 175.48 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.51 -172.48 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.51 -35.74 60.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.9 -31.17 22.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -61.08 -50.48 73.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.52 91.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -68.94 -31.63 70.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 22' ' ' VAL . 24.2 t -70.55 -46.33 70.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.083 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -63.45 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.049 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -79.74 -31.88 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -82.35 -44.57 16.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 18' ' ' VAL . 10.6 p -59.3 -30.34 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.152 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.3 -19.7 31.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -27.82 20.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.016 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' ' 119' ' ' LEU . 10.6 ptp -88.28 -27.58 21.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.166 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.743 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.1 -52.9 70.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.247 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 52.8 Cg_exo -52.64 -43.91 51.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.533 2.155 . . . . 0.0 112.323 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 t -80.37 -26.99 38.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 26' ' ' ALA . 7.7 mt -56.21 123.96 57.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.957 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.85 175.94 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.465 2.11 . . . . 0.0 112.266 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.77 163.27 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 m -124.47 133.13 53.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -95.68 102.45 14.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.5 mt -64.9 -29.45 70.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.22 -30.31 62.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.084 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -75.09 -32.83 61.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.052 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.3 m -86.42 -24.42 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -57.74 -58.11 9.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.03 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -55.49 -33.77 64.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -61.24 -30.21 70.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.726 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.8 mt -79.36 -38.1 35.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -28.19 65.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.5 p -83.48 -33.07 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 47' ' ' LEU . 2.2 m120 -85.57 175.96 8.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -46.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -53.14 20.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.454 HD12 ' ND2' ' A' ' 44' ' ' ASN . 14.0 mt -60.02 -31.84 70.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.885 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.647 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -75.72 -26.69 57.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 -28.82 17.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -80.45 -66.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.8 pt -122.1 36.86 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.242 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.32 -41.93 3.58 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.415 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -60.81 -28.97 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.411 HG22 ' OD1' ' A' ' 107' ' ' ASN . 33.7 mt -65.44 -33.55 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.726 ' CD2' HD11 ' A' ' 41' ' ' LEU . 13.9 m-85 -65.44 -53.39 43.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.73 -28.43 69.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.78 172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.99 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -66.64 150.98 48.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -72.49 -31.67 65.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -125.66 65.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.68 146.86 33.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.99 -32.49 17.52 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -75.27 -26.68 58.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.8 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -56.24 -36.31 68.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.62 -30.55 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -84.23 -32.97 24.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.944 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -71.83 -34.32 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.8 HD11 ' HD2' ' A' ' 64' ' ' LYS . 10.8 mt -80.71 -45.64 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -59.13 -29.83 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.38 -47.41 67.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.009 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -81.82 -27.19 33.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -56.96 90.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.369 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.9 126.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.517 HD12 HG12 ' A' ' 95' ' ' VAL . 32.3 mt -110.48 -33.95 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.18 135.23 54.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.15 -177.79 31.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.648 -0.786 . . . . 0.0 112.497 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.68 -169.55 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -103.21 -31.49 10.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.844 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -82.7 119.55 24.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.0 m -64.54 106.05 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -136.19 -179.46 5.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.6 mtt180 60.6 179.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -60.36 112.29 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 64.28 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 116.53 45.97 0.54 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 79.08 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -99.49 -38.39 8.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 92' ' ' GLU . 32.0 mt -63.89 -178.4 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.3 t -152.85 -53.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.429 HD21 ' OH ' ' A' ' 131' ' ' TYR . 17.4 tp -176.14 -40.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.502 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.6 t-80 -68.17 -50.32 55.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HB3' HD22 ' A' ' 88' ' ' LEU . 1.9 mp0 -59.26 -31.46 69.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.6 mt -61.4 -48.25 82.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.688 ' HA ' HD21 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -61.73 -46.54 89.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.03 -179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.517 HG12 HD12 ' A' ' 74' ' ' ILE . 19.7 t -55.97 -28.58 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.34 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -75.53 -61.52 1.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -64.99 -30.3 71.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.091 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -63.34 -30.11 71.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.239 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -89.48 -28.47 19.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.237 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.5 -47.24 84.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.206 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -66.29 -32.31 73.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.532 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -73.17 -39.87 65.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.933 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.02 -30.77 68.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.6 t -68.03 -50.8 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -42.19 98.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.504 ' OD2' ' HB3' ' A' ' 108' ' ' ALA . 14.4 t70 -124.68 113.72 18.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.011 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.411 ' OD1' HG22 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -70.81 -30.09 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB3' ' OD2' ' A' ' 106' ' ' ASP . . . -61.77 -30.1 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.63 -29.98 69.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.983 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.615 HD21 HG23 ' A' ' 68' ' ' ILE . 8.9 mt -58.16 -32.09 67.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.17 -38.21 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -80.57 89.37 5.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.07 -44.1 69.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -62.15 -31.65 72.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -40.3 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' ' 99' ' ' ALA . 37.4 tp -67.34 -32.37 73.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -70.54 -44.23 67.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.01 -32.4 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' ' 25' ' ' MET . 74.8 mt -76.55 -51.42 11.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.44 -35.72 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.05 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -73.0 -31.36 64.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -41.25 92.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.714 ' O ' HG23 ' A' ' 127' ' ' VAL . 22.4 mt -76.56 -34.59 24.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.3 t -59.84 -50.95 71.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -63.14 -31.1 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -67.99 -44.02 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -66.68 -33.4 63.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.56 -31.78 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -61.21 -54.52 43.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.07 127.24 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.429 ' OH ' HD21 ' A' ' 90' ' ' LEU . 0.3 OUTLIER -152.0 40.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -133.94 151.83 51.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -121.31 -177.92 3.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -92.24 49.58 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.0 t -157.92 162.92 38.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.9 t -58.29 150.16 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.9 m -74.0 104.33 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 177.63 62.01 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.516 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.6 170.16 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.535 2.157 . . . . 0.0 112.28 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.3 t -176.38 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 73.7 m 60.65 106.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.445 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -173.29 163.76 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m 60.37 178.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.32 -140.45 2.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.43 -52.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -76.8 -31.69 57.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.79 -171.67 42.97 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -92.54 149.66 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.02 -175.17 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.773 HD11 ' HA ' ' A' ' 94' ' ' THR . 12.1 mt -83.21 178.75 7.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -77.45 -169.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.34 -43.19 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.78 67.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -80.0 -50.83 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.31 -52.08 66.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.462 ' OG ' HG22 ' A' ' 127' ' ' VAL . 16.5 t -60.01 -31.24 69.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 14' ' ' ALA . 22.0 t -76.97 -30.37 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.67 -25.98 28.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.43 -48.82 10.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.062 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -47.09 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.018 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 p -55.12 -28.27 20.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.273 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -87.13 -21.91 25.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.02 -25.44 20.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.9 ptp -88.12 -28.28 21.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.168 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.29 -53.21 68.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.352 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.751 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 73.0 Cg_exo -49.42 -42.43 41.32 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.681 2.254 . . . . 0.0 112.482 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.3 t -81.35 -31.15 33.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.9 mt -79.23 138.06 56.23 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.17 176.54 9.91 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.496 2.131 . . . . 0.0 112.36 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 pttm -130.28 166.82 19.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.08 161.01 18.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.65 159.87 19.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HA ' HG22 ' A' ' 37' ' ' VAL . 9.1 mt -93.37 -30.93 14.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -60.59 -31.77 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' A' ' 40' ' ' LEU . 29.7 m -58.81 -29.25 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.251 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -58.93 -58.01 10.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -58.27 -31.0 67.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 37' ' ' VAL . 56.8 mt -64.24 -30.04 71.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 HD11 ' CD2' ' A' ' 55' ' ' PHE . 95.9 mt -72.86 -41.04 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 -30.07 68.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 40' ' ' LEU . 7.9 t -88.15 -31.81 18.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -93.57 169.62 10.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -138.97 -47.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -58.73 -31.43 68.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -92.68 -31.6 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.786 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.19 -24.0 67.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.285 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 tttt -91.96 -25.08 19.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -82.94 -59.75 2.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.037 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.589 HD11 ' CG2' ' A' ' 111' ' ' THR . 3.0 pt -128.75 31.89 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.379 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.64 -36.1 5.96 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.405 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -65.36 -27.75 68.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.331 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 64' ' ' LYS . 36.1 mt -70.25 -37.63 71.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.521 ' CD2' HD11 ' A' ' 41' ' ' LEU . 36.8 m-85 -64.11 -48.51 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.02 -31.72 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttp -62.12 160.24 13.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.98 -177.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.6 -36.17 8.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -100.2 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -108.73 120.9 44.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.99 -28.73 41.2 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.467 2.111 . . . . 0.0 112.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -62.54 -29.7 70.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.653 ' CD ' HD11 ' A' ' 68' ' ' ILE . 1.7 ttmt -58.31 -54.1 50.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.995 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -29.24 67.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -77.18 -27.87 53.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -87.85 -46.83 9.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.158 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.761 HG23 HD21 ' A' ' 110' ' ' LEU . 7.2 mt -61.93 -38.12 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 -72.44 -30.73 64.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.981 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -70.64 -39.82 73.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -84.1 -32.17 24.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.967 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.8 m -73.07 91.34 1.59 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.5 98.07 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.652 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.8 mt -79.5 -39.85 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.844 ' CE1' HG11 ' A' ' 95' ' ' VAL . 14.4 m-85 -99.93 37.7 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 80.0 174.02 46.46 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.518 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -123.7 -67.23 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -166.24 -43.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 62.08 173.03 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.9 t -59.27 154.52 16.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -98.49 35.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -129.13 29.84 5.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -176.89 169.82 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.03 -176.59 3.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 157.1 43.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.467 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.19 142.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -114.51 112.46 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 92' ' ' GLU . 22.1 mt -71.32 172.87 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.821 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 t -126.92 -51.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.2 tp -176.41 -54.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.691 ' O ' HG23 ' A' ' 95' ' ' VAL . 20.0 t-80 -59.41 -46.82 87.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.002 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.496 ' HB3' HD22 ' A' ' 88' ' ' LEU . 40.5 mt-10 -58.74 -29.17 66.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.024 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.57 -35.34 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.773 ' HA ' HD11 ' A' ' 10' ' ' LEU . 4.0 m -66.59 -30.94 71.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.844 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.7 t -64.88 -29.77 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.0 m-20 -83.71 -52.21 6.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -30.63 67.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.981 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.73 -29.94 70.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.155 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -97.69 -28.79 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.314 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.654 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.77 -35.17 72.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.243 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -77.69 -35.26 52.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.479 ' HB3' HD13 ' A' ' 109' ' ' LEU . 13.5 mt -72.1 -31.19 65.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 98.4 m -68.78 -31.38 70.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 100' ' ' ALA . 25.6 t -68.55 -61.86 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -59.79 -31.76 69.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.543 ' HB2' HD12 ' A' ' 109' ' ' LEU . 55.8 m-20 -129.29 94.4 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.415 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -63.11 -30.1 71.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.56 -29.85 66.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 106' ' ' ASP . 11.2 mt -64.69 -25.0 67.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.053 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.761 HD21 HG23 ' A' ' 68' ' ' ILE . 12.7 mt -55.68 -35.77 66.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.589 ' CG2' HD11 ' A' ' 51' ' ' ILE . 6.9 p -77.93 -40.25 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.7 mtt180 -75.97 101.69 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -82.17 -42.13 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.94 -41.5 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.808 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -49.35 61.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.635 HD11 ' HB1' ' A' ' 99' ' ' ALA . 8.3 tp -66.16 -30.15 70.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.652 ' HD1' HD13 ' A' ' 74' ' ' ILE . 33.5 t80 -69.5 -30.4 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.27 -44.25 13.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 85.0 mt -59.71 -38.19 80.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.624 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -71.27 -47.35 57.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.5 ttp85 -60.31 -28.11 67.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.85 -57.51 12.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.072 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 127' ' ' VAL . 11.3 mt -70.2 -31.52 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.09 -29.84 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -38.11 17.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -37.18 86.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 123' ' ' ILE . 29.4 t -67.39 -46.09 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.065 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -65.34 -37.38 86.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -59.82 -56.95 15.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.42 86.27 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -120.63 167.07 12.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -61.63 153.93 26.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -139.41 133.12 30.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -122.91 158.11 31.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 60.6 p -107.41 166.55 10.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 41.4 p -89.76 148.81 23.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.8 m -121.24 127.17 51.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.78 77.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.581 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.93 169.0 20.16 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.548 2.166 . . . . 0.0 112.324 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 7.3 m -66.99 177.29 1.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.7 p -131.03 117.07 18.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.493 179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 112.577 -0.209 . . . . 0.0 112.577 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.36 164.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.358 . . . . 0.0 110.945 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.0 p -80.93 168.6 18.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.72 154.25 15.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -131.35 178.9 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 p -108.93 111.89 23.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.92 -164.72 7.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HB3' HD21 ' A' ' 93' ' ' LEU . 77.3 mt-10 -60.46 107.41 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.93 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' HA ' HD22 ' A' ' 93' ' ' LEU . . . -158.69 172.38 18.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 94' ' ' THR . 29.9 mt -72.61 -176.82 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -101.31 177.23 4.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.51 90.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.2 -44.54 65.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.14 90.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.49 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.81 -40.0 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.21 -38.58 83.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.607 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -73.49 -41.79 56.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.92 -30.95 70.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -78.63 -44.77 23.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.8 t -60.44 -46.35 90.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.61 -29.98 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -80.71 -24.56 38.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -83.35 -30.09 27.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.031 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.587 ' SD ' HD21 ' A' ' 102' ' ' LEU . 11.6 ptp -87.06 -23.41 24.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.188 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.77 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -54.74 -53.24 62.77 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.312 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.77 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 65.4 Cg_exo -51.3 -46.8 29.19 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.442 2.095 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 82.8 p -73.34 -32.71 64.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.51 124.01 89.64 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.81 158.54 8.36 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.337 2.025 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 155.76 18.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.88 157.33 34.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.03 131.56 39.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.2 -31.7 73.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -68.47 -31.25 70.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.83 -42.52 85.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.7 m -81.19 -28.83 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.9 mttm -57.97 -50.84 72.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.17 -30.05 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.46 -36.3 76.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD11 ' CD2' ' A' ' 55' ' ' PHE . 45.2 mt -65.56 -38.07 88.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -27.81 69.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 35.5 p -94.14 -33.58 13.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.463 ' CG ' HD12 ' A' ' 47' ' ' LEU . 5.2 m120 -80.59 176.03 10.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -136.34 -55.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -60.17 -47.24 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.816 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 44' ' ' ASN . 5.9 mt -70.25 -34.77 73.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.183 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.26 -28.04 20.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.401 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 4.9 ttt -80.96 -67.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.086 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.62 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.2 pt -122.9 37.54 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.24 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.12 -34.5 6.73 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -72.5 -28.75 63.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -67.83 -34.75 69.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.055 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CD2' HD11 ' A' ' 41' ' ' LEU . 25.9 m-85 -61.98 -31.55 71.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -74.02 -32.02 63.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.8 ttp -68.75 164.22 22.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -78.56 169.38 18.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.78 32.1 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -152.83 33.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.67 137.59 22.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.92 -27.77 55.49 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.464 2.109 . . . . 0.0 112.347 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.65 -32.27 73.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.99 -42.02 89.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.905 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.59 -30.77 70.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -85.62 -30.32 23.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.016 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.11 -47.8 19.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 64' ' ' LYS . 5.7 mt -62.92 -44.29 99.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -65.04 -29.68 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.419 ' HD3' ' CD2' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -72.6 -33.4 66.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 -179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 43.9 m-85 -92.72 -31.26 15.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.022 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 m -75.88 78.42 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.41 91.12 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.26 -34.9 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 92' ' ' GLU . 70.1 m-85 -101.96 144.89 30.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.6 -115.0 6.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -167.36 -179.39 4.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.745 0.307 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' CD2' ' HD3' ' A' ' 70' ' ' LYS . 25.9 p90 -108.11 31.25 5.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.57 110.15 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 m -108.62 69.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -116.03 -37.43 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.87 141.39 48.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.08 95.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -122.79 104.93 9.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -140.6 23.68 2.65 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.593 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 58.26 164.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.422 ' CD2' ' HG ' ' A' ' 88' ' ' LEU . 13.1 p-80 -165.33 -48.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' HG ' ' CD2' ' A' ' 87' ' ' HIS . 31.2 mt -67.08 175.73 2.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 90' ' ' LEU . 4.0 t -145.34 -48.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HG23 ' A' ' 89' ' ' THR . 2.8 tt -176.04 -54.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -51.9 63.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 23.5 mt-10 -60.2 -30.89 69.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.496 HD22 ' HA ' ' A' ' 9' ' ' ALA . 5.8 mt -65.02 -30.81 71.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.603 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -79.02 -39.1 34.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.013 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t -65.55 -27.79 42.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.25 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -80.52 -30.36 37.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.045 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -91.93 -29.22 16.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -57.53 -60.47 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.17 -28.17 66.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.247 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.16 -35.15 71.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.178 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -87.69 -34.53 18.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.587 HD21 ' SD ' ' A' ' 25' ' ' MET . 1.2 mt -65.38 -32.34 73.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -71.88 -31.02 66.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 100' ' ' ALA . 30.1 t -62.22 -46.39 96.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -63.76 -48.22 77.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -124.51 102.84 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.755 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -26.92 67.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.01 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.579 ' HB1' ' NH1' ' A' ' 112' ' ' ARG . . . -58.79 -28.82 66.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.162 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.67 -27.82 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.62 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.8 mt -57.22 -29.98 64.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.992 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 51' ' ' ILE . 71.2 p -82.72 -48.06 11.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.579 ' NH1' ' HB1' ' A' ' 108' ' ' ALA . 3.4 mtt180 -77.43 89.4 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.9 ttt-85 -75.32 -41.36 57.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.2 70.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 56.7 tt0 -82.76 -44.53 15.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.668 HD21 ' HB1' ' A' ' 99' ' ' ALA . 18.1 tp -64.49 -31.09 72.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -69.81 -30.7 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.97 -30.56 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.9 mt -77.12 -37.84 53.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.001 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.74 91.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.052 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -59.87 -58.48 8.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 127' ' ' VAL . 33.1 mt -69.31 -27.37 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -57.79 -31.94 67.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -86.38 -31.48 21.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -30.62 71.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 123' ' ' ILE . 28.2 t -80.82 -52.15 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 14.7 m -59.7 -33.91 72.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -69.11 -42.52 76.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.85 107.45 15.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.25 135.58 46.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 79.4 p -67.99 114.03 6.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 133' ' ' TYR . 27.3 p90 -92.93 116.52 29.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -103.17 134.42 46.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.95 147.03 46.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.94 166.69 13.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.0 p -102.65 161.86 13.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.976 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -134.93 158.22 23.41 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.0 -35.42 11.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.623 2.215 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.9 m -148.68 160.07 43.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.8 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 37.2 p -167.17 33.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.539 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -80.31 156.6 26.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.733 0.301 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.54 97.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.63 172.86 33.54 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.573 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.52 176.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.31 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.4 m -128.45 161.42 29.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.28 44.24 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.6 -175.23 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' OE2' ' A' ' 97' ' ' GLU . . . -104.9 138.34 41.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.051 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 94' ' ' THR . 24.7 mt 60.8 165.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -76.04 175.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.17 -43.52 19.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.553 ' HB1' HG11 ' A' ' 127' ' ' VAL . . . -66.15 -30.7 71.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.074 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.2 -30.39 70.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.48 -36.99 77.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.446 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -65.37 -30.92 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.961 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.5 t -70.56 -30.58 43.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.32 -27.53 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -82.75 -39.67 21.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.998 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 10.1 m -65.39 -47.66 75.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 12.7 p -55.88 -31.81 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -81.19 -24.09 37.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.03 -29.73 19.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.027 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 102' ' ' LEU . 1.1 ptp -88.23 -26.63 22.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.138 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.39 -53.22 67.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.285 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.13 -31.84 46.91 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.57 2.18 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 p -86.29 -31.37 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.16 140.97 90.87 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -75.23 -170.47 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.504 2.136 . . . . 0.0 112.311 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -116.53 134.14 55.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -93.99 178.75 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -103.89 130.4 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 34' ' ' LEU . 13.8 mt -90.8 -30.86 16.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.17 -30.76 71.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.51 -56.52 4.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 34' ' ' LEU . 19.3 m -59.27 -29.51 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -59.14 -53.64 56.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 43' ' ' THR . 0.9 OUTLIER -59.53 -30.84 68.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -25.35 64.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.598 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.2 mt -85.48 -43.21 13.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -29.13 67.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.592 HG22 ' O ' ' A' ' 39' ' ' GLU . 4.3 t -88.82 -31.67 18.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.946 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.41 ' CB ' HD12 ' A' ' 47' ' ' LEU . 15.6 m120 -98.82 118.01 34.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -75.74 -32.23 59.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -72.36 -48.82 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' CB ' ' A' ' 44' ' ' ASN . 93.4 mt -61.29 -43.11 99.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.31 -29.48 70.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -87.93 -29.76 20.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ttt -79.07 -67.54 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.476 HD13 ' HB3' ' A' ' 110' ' ' LEU . 3.0 pt -123.29 43.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.179 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.35 -29.31 5.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -70.58 -28.68 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 31.0 mt -67.21 -30.96 51.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.598 ' CD2' HD11 ' A' ' 41' ' ' LEU . 30.0 m-85 -71.63 -31.48 66.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -73.0 -46.29 53.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 ttt -60.49 161.52 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -76.47 -175.95 3.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -109.39 -29.91 8.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.85 -30.54 67.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.77 129.57 94.33 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.815 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.07 -25.3 19.49 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.519 2.146 . . . . 0.0 112.403 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -56.15 -23.26 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -54.8 -31.1 58.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.106 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -31.95 66.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.65 -31.0 68.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -78.55 -42.05 30.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.599 HD13 ' HA ' ' A' ' 104' ' ' VAL . 16.2 mt -73.86 -29.3 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -61.8 -28.89 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.988 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.56 -43.38 20.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -76.57 -32.18 57.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.029 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 86.4 p -60.59 89.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.08 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -118.79 -41.16 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.068 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.434 ' CD2' ' HG3' ' A' ' 92' ' ' GLU . 46.0 m-85 -96.18 94.86 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.24 164.66 29.76 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.88 156.78 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.818 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -103.03 40.62 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -130.27 146.18 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 m -82.81 129.22 34.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -168.51 164.65 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.72 175.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -63.57 -55.07 26.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.43 163.17 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -144.57 -43.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.619 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.82 -63.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 61.22 -173.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.776 HD22 ' HB3' ' A' ' 92' ' ' GLU . 8.1 mt 58.71 -178.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.543 HG22 ' OE1' ' A' ' 92' ' ' GLU . 1.8 t -139.24 -51.37 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.8 tp -176.25 -57.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.018 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.484 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -58.9 -39.76 82.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.776 ' HB3' HD22 ' A' ' 88' ' ' LEU . 2.1 mp0 -60.37 -30.79 69.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.49 -31.25 42.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.571 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -69.83 -31.19 68.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -84.26 -39.86 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -62.11 -30.37 70.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.436 ' OE2' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -95.95 -29.52 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.45 -29.83 66.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.207 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.998 ' HB1' HD11 ' A' ' 116' ' ' LEU . . . -99.61 -21.27 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.372 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.0 -29.04 56.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -93.46 -31.11 14.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.975 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 25' ' ' MET . 4.1 mt -67.2 -40.63 86.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 8.8 m -63.34 -30.14 71.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.599 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.2 t -59.13 -64.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.265 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -57.36 -54.7 43.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -100.65 101.31 12.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.47 -29.2 70.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.27 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 109' ' ' LEU . 13.0 mt -58.34 -28.22 64.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.476 ' HB3' HD13 ' A' ' 51' ' ' ILE . 1.9 mt -57.29 -32.78 66.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 74.8 p -90.41 -31.74 16.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.773 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -79.22 111.23 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -89.77 -41.64 11.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -54.8 43.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.02 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.576 ' OE2' HD11 ' A' ' 119' ' ' LEU . 9.7 tt0 -59.5 -52.56 65.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.998 HD11 ' HB1' ' A' ' 99' ' ' ALA . 9.2 tp -57.87 -29.19 64.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.1 -30.14 62.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -87.68 -41.52 13.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.576 HD11 ' OE2' ' A' ' 115' ' ' GLU . 75.9 mt -68.0 -45.32 74.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.01 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.33 -52.26 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.144 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.64 -29.02 67.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -58.66 -32.56 69.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.986 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 127' ' ' VAL . 31.5 mt -84.69 -32.07 7.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.0 t -63.46 -48.64 76.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -30.58 68.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -71.66 -53.28 14.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.553 HG11 ' HB1' ' A' ' 14' ' ' ALA . 21.4 t -67.23 -43.64 88.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.7 m -59.77 -39.38 84.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.955 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -60.09 -57.72 11.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -108.45 105.31 14.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -169.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 1.1 p -76.68 143.45 40.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -108.15 154.33 21.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.88 148.82 36.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 28.1 p -105.91 115.88 30.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 136' ' ' THR . 5.0 t -148.96 109.23 4.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 m -147.12 31.45 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -148.11 147.05 17.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.14 -31.15 9.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 112.346 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 52.9 p -78.84 -75.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.04 176.82 5.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.509 179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.2 t 60.33 99.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -134.87 42.85 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.92 163.77 22.79 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -91.8 161.58 14.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -117.98 33.72 5.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.88 179.34 24.84 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -136.38 122.72 20.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.7 -177.8 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt -80.02 173.08 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -82.99 -179.73 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.02 -30.51 55.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.65 -31.21 18.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.072 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.457 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -70.12 -44.64 68.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.55 -28.7 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.238 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.56 -44.73 64.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.945 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -59.14 -38.85 80.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.995 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.7 t -67.65 -29.71 46.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.43 -29.89 23.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.235 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -76.74 -40.09 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 m -70.33 -48.27 57.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.966 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 102' ' ' LEU . 11.2 p -57.53 -28.87 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.282 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -84.73 -19.83 32.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.272 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.56 -27.5 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.221 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.0 ptp -88.22 -30.64 19.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.167 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.765 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -58.9 -52.85 71.84 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.223 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.765 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 49.9 Cg_exo -55.81 -34.84 92.44 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.302 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.3 p -81.64 -34.47 30.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.013 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 29' ' ' LEU . 19.2 mt -69.59 140.34 89.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.86 167.06 27.91 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.509 2.139 . . . . 0.0 112.362 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -95.03 156.39 16.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.807 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t -106.35 173.15 6.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -79.31 102.82 8.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mt -66.98 -31.41 71.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.33 -31.44 67.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -66.27 -54.41 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.9 m -60.22 -30.57 46.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -64.46 -48.34 75.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 43' ' ' THR . 0.4 OUTLIER -57.2 -29.9 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.71 -31.42 68.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.17 -40.22 20.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -62.63 -28.29 69.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.013 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 39' ' ' GLU . 10.7 t -88.76 -34.67 17.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.75 172.15 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 -42.99 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.766 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -59.46 -57.12 14.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 mt -60.93 -31.27 70.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.64 -28.94 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -88.92 -29.53 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -67.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.4 pt -123.13 40.5 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -100.17 -36.33 4.18 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -66.81 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.307 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.0 mt -64.21 -32.75 58.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 36.2 m-85 -67.5 -53.29 29.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -67.22 -25.71 66.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 ttt -55.26 151.39 9.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 154.93 16.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -88.67 -29.15 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.17 38.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.36 135.56 23.22 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.88 -28.68 16.24 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.501 2.134 . . . . 0.0 112.272 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -62.85 -26.84 68.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.024 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -56.48 -49.55 74.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' HA ' HD12 ' A' ' 68' ' ' ILE . 2.6 tt0 -58.9 -43.43 90.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.0 -31.25 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.98 -42.15 40.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.651 HG23 HD21 ' A' ' 110' ' ' LEU . 7.3 mt -66.29 -40.49 86.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -70.14 -31.35 68.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.71 -58.85 6.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.53 -28.44 66.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 m -60.36 86.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -145.38 126.73 14.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.013 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 74' ' ' ILE . 19.1 mt -133.37 18.85 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' HE1' HG11 ' A' ' 95' ' ' VAL . 15.4 m-85 -143.42 -49.13 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.61 -127.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.18 -163.89 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.582 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -89.94 -29.43 18.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -79.88 116.44 20.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.9 m -111.77 -177.27 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.33 163.6 15.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.9 ttt-85 60.73 167.08 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -128.7 104.53 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.32 -70.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.67 46.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.51 -173.01 2.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 m170 63.72 -79.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD13 HD23 ' A' ' 93' ' ' LEU . 4.3 mt -127.81 122.97 34.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -109.59 -43.4 4.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -173.18 -62.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.7 ' O ' HG23 ' A' ' 95' ' ' VAL . 2.0 t-80 -59.48 -40.33 86.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -68.91 -30.84 69.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.926 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.461 HD23 HD13 ' A' ' 88' ' ' LEU . 17.1 mt -64.85 -34.02 77.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.732 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.3 m -78.14 -31.73 49.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 91' ' ' HIS . 28.1 t -67.92 -48.34 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -35.85 82.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.04 -41.86 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.57 -31.04 69.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.582 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -77.04 -35.74 56.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -65.46 -44.77 86.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -60.19 -38.08 82.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 22' ' ' VAL . 21.9 mt -71.96 -34.18 68.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 55.9 m -63.33 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.567 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.5 t -62.98 -49.89 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -61.97 -31.94 72.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -136.35 111.03 8.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -66.3 -30.72 71.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.39 -29.91 70.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 109' ' ' LEU . 12.7 mt -62.08 -28.86 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.651 HD21 HG23 ' A' ' 68' ' ' ILE . 15.5 mt -57.78 -35.83 71.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.6 p -77.77 -31.14 51.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.76 125.2 27.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.825 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.33 -33.03 10.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.922 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -92.67 -37.5 12.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.49 -41.93 98.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 ' HB1' ' A' ' 99' ' ' ALA . 29.6 tp -76.43 -30.71 57.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.035 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -67.16 -30.39 70.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.7 -43.66 18.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.72 -49.63 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.48 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ttp180 -59.33 -28.54 66.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.16 -48.47 80.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.859 ' O ' HG23 ' A' ' 127' ' ' VAL . 7.2 mt -72.59 -30.08 32.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -57.23 -32.16 66.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.004 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -88.66 -40.1 13.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -59.95 -30.44 69.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.859 HG23 ' O ' ' A' ' 123' ' ' ILE . 22.8 t -80.33 -50.44 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.47 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -59.71 -62.15 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.978 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -76.04 88.57 2.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -154.48 30.66 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.4 p -75.3 110.72 9.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 27.1 p90 -90.56 141.55 28.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -114.57 153.08 30.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.5 83.93 1.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.84 99.15 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.1 t 60.89 166.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.97 61.45 0.86 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.562 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.21 103.62 1.27 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.57 2.18 . . . . 0.0 112.381 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.9 t -133.59 -50.69 0.85 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 91.8 p -93.69 -176.02 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.472 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -141.3 31.5 1.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -147.5 104.52 3.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.93 121.55 3.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.551 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -106.71 72.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.12 172.91 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.75 -167.6 12.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.485 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -77.55 119.67 21.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.49 -179.06 7.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 94' ' ' THR . 32.6 mt -60.4 165.33 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.35 175.15 5.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -60.64 -31.32 70.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.86 -52.29 9.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.5 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.33 -32.91 74.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 12' ' ' ALA . 1.3 mt -74.58 -35.0 63.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.04 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.712 HG13 HG21 ' A' ' 123' ' ' ILE . 21.4 t -88.03 -34.2 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.47 63.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.173 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -83.31 -30.94 27.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 2.3 m -73.25 -45.45 55.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.867 HG23 HD23 ' A' ' 102' ' ' LEU . 11.6 p -58.21 -29.65 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -79.79 -23.83 41.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.019 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 28' ' ' THR . 1.9 mtt-85 -84.84 -43.91 13.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.769 0.319 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 ptp -77.83 -22.36 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.4 -61.43 6.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.515 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.66 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 36.0 Cg_endo -65.33 -32.39 50.87 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.123 . . . . 0.0 112.664 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 24' ' ' ARG . 16.8 p -75.49 -33.04 60.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.931 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.9 mt -70.84 152.09 95.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.34 -169.16 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.551 2.167 . . . . 0.0 112.342 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.4 -178.37 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.61 166.95 22.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.32 133.95 52.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 41.6 mt -71.88 -31.64 66.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.98 -31.36 72.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.37 -47.37 56.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.24 -26.69 15.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -56.6 -39.43 73.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.51 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.72 -31.27 70.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 52.2 mt -80.14 -31.66 39.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -68.31 -28.27 67.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.5 p -82.46 -32.87 28.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -105.14 178.68 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 -44.92 1.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -64.17 -41.12 97.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.2 -32.56 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -82.01 -24.05 35.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.268 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -92.89 -28.19 16.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 ttt -82.26 -65.93 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.7 pt -119.9 34.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -96.77 -41.93 3.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.446 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.6 p-80 -65.81 -29.84 70.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.463 HD11 ' CE2' ' A' ' 71' ' ' TYR . 26.6 mt -66.81 -30.94 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.53 -36.91 85.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.815 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -74.49 -31.4 62.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.12 169.49 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.978 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -100.83 152.04 20.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -71.36 -28.13 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.79 57.24 4.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.92 139.14 14.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.23 -28.47 15.39 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.62 2.214 . . . . 0.0 112.348 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -74.99 -29.68 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.784 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -58.53 -53.15 61.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.633 ' HA ' HD12 ' A' ' 68' ' ' ILE . 0.9 OUTLIER -59.29 -45.09 92.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.984 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -29.4 68.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.88 -42.21 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.876 HG23 HD21 ' A' ' 110' ' ' LEU . 6.6 mt -64.85 -45.66 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -58.79 -28.15 65.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -69.14 -33.86 74.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.071 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.463 ' CE2' HD11 ' A' ' 54' ' ' ILE . 84.2 m-85 -94.49 -40.69 9.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 51.1 p -59.01 97.88 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -162.69 104.04 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.827 HD12 HG12 ' A' ' 95' ' ' VAL . 31.4 mt -80.52 -50.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.71 88.87 3.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.83 -158.27 22.19 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -107.96 -67.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -177.33 -40.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -165.64 109.82 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -135.0 149.61 50.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -100.88 96.76 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -155.35 -177.61 6.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.28 161.82 17.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.2 152.82 33.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 136.43 -33.17 2.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -69.0 -66.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -102.65 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.5 mt -80.37 94.38 6.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.7 t -96.67 -40.53 8.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -176.69 -54.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -60.17 -46.98 87.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.21 -31.67 70.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.956 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.51 -31.43 70.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.636 ' HA ' HD11 ' A' ' 10' ' ' LEU . 2.1 m -70.93 -42.0 70.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.995 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.827 HG12 HD12 ' A' ' 74' ' ' ILE . 21.6 t -61.55 -36.87 76.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.88 -59.63 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.56 -30.36 71.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.64 -59.4 5.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.828 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -59.05 -30.01 67.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.37 -44.41 92.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -75.85 -33.11 60.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.867 HD23 HG23 ' A' ' 22' ' ' VAL . 68.4 mt -71.55 -39.58 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.85 -30.5 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.3 t -59.82 -58.25 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -60.12 -46.66 88.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.541 ' HB3' HD12 ' A' ' 109' ' ' LEU . 21.2 t0 -108.31 104.41 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -69.47 -26.26 64.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -66.2 -31.9 73.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.213 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 106' ' ' ASP . 13.4 mt -59.98 -30.21 68.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.96 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.876 HD21 HG23 ' A' ' 68' ' ' ILE . 19.9 mt -59.92 -33.17 71.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.0 p -85.56 -38.52 18.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -97.96 101.1 12.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -79.16 -28.91 42.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.96 -53.88 53.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.86 -34.83 78.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.828 HD21 ' HB1' ' A' ' 99' ' ' ALA . 14.3 tp -64.93 -31.03 72.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -65.17 -33.45 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.63 -56.76 4.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.151 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.9 mt -58.69 -40.41 83.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.047 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.34 87.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.285 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.37 -29.58 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.001 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -62.75 -31.23 72.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.063 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.712 HG21 HG13 ' A' ' 18' ' ' VAL . 23.4 mt -88.53 -30.61 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.216 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.91 -30.31 67.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.997 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -31.09 61.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.958 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.56 -46.85 77.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 20.0 t -63.82 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.77 -31.06 32.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -72.43 -62.21 1.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.76 128.27 35.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.91 30.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.6 t -153.51 155.78 36.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 134' ' ' ARG . 46.6 p90 -73.75 -39.69 64.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.412 ' HB2' ' CE2' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -135.15 149.94 50.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.6 m -113.14 -37.23 4.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.828 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 58.5 p -75.7 94.62 3.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -139.66 84.9 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 116.47 92.75 1.74 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.52 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.06 139.48 46.9 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.557 2.172 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.7 t -123.98 -46.91 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.1 p -76.16 71.51 2.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.545 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -141.84 105.14 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -129.57 89.51 2.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.96 -125.1 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -105.63 -178.58 3.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -96.78 -31.77 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.85 124.76 4.11 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.15 158.27 44.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.807 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.885 ' HB1' HD22 ' A' ' 93' ' ' LEU . . . -111.14 -60.47 1.83 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.743 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.1 mt -64.9 177.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.7 -175.11 4.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.734 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -71.15 -34.62 71.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.92 -49.93 12.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -59.75 -48.27 82.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.159 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.96 -32.71 71.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.124 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 12' ' ' ALA . 3.5 mt -69.71 -40.39 76.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -49.3 78.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.608 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -66.44 -41.22 88.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.029 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.49 -32.8 72.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.051 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -82.67 -31.23 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -46.69 23.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.6 p -56.35 -29.75 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -86.34 -18.45 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.219 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -46.22 8.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.1 ptp -70.62 -27.29 63.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.612 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.26 -61.56 6.39 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.517 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.612 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 18.0 Cg_endo -59.77 -42.04 49.53 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.48 2.12 . . . . 0.0 112.445 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 p -67.94 -29.8 68.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.0 mt -67.15 156.28 88.36 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.55 -177.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.574 2.183 . . . . 0.0 112.342 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.8 125.03 53.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.9 m -100.47 134.58 43.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 128.86 34.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.5 mt -76.66 -31.45 57.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -64.14 -31.41 72.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.978 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.12 -49.86 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.4 m -70.36 -30.33 42.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -65.07 -47.49 77.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.35 -33.94 73.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.22 -36.53 77.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD11 ' CD2' ' A' ' 55' ' ' PHE . 10.1 mt -73.07 -30.32 63.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -30.6 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.6 p -86.87 -31.81 20.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.987 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -91.61 152.94 20.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.01 -31.57 7.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -79.75 -45.36 19.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.04 -32.62 73.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.96 -29.26 66.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -86.41 -28.05 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -65.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 13.7 pt -129.92 36.89 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.316 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -93.63 -45.36 3.45 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.423 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -60.64 -29.32 69.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.5 -40.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.593 ' CD2' HD11 ' A' ' 41' ' ' LEU . 18.6 m-85 -60.41 -50.86 71.92 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.39 -29.65 69.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.981 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.61 175.9 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.22 -170.93 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.7 -31.16 8.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 30.95 4.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -87.52 131.08 44.96 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.02 -46.91 30.1 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.381 2.054 . . . . 0.0 112.339 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -59.27 -25.59 64.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -55.8 -37.94 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.953 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -71.99 -45.41 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -64.66 -41.15 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.58 -53.84 50.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.614 HD13 ' HA ' ' A' ' 104' ' ' VAL . 38.1 mt -64.26 -40.98 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -60.3 -31.17 70.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -66.47 -55.66 14.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -72.22 -41.25 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.3 m -65.8 82.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -164.13 78.5 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.533 HD12 HG12 ' A' ' 95' ' ' VAL . 25.4 mt -72.11 -30.1 34.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.516 ' HB3' HD21 ' A' ' 88' ' ' LEU . 67.1 m-85 -119.32 105.55 11.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.11 -162.01 14.3 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -115.21 -165.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -103.98 -32.88 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.77 117.82 6.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.8 m -140.26 77.16 1.59 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -115.77 -37.2 3.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -132.66 -60.35 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.11 -176.31 3.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -132.44 -52.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 170.73 -32.78 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.77 30.94 18.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.64 -37.83 3.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.516 HD21 ' HB3' ' A' ' 75' ' ' TYR . 37.7 mt -62.69 161.71 11.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 90' ' ' LEU . 10.0 t -136.79 -46.97 0.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.443 ' CD2' HG22 ' A' ' 128' ' ' THR . 5.2 tp -170.04 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.984 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 t-80 -59.89 -51.36 70.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.959 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.494 ' CB ' HD22 ' A' ' 88' ' ' LEU . 29.2 mt-10 -61.65 -31.06 71.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.885 HD22 ' HB1' ' A' ' 9' ' ' ALA . 4.6 mt -71.37 -40.41 70.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.743 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -60.3 -50.54 73.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.975 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.533 HG12 HD12 ' A' ' 74' ' ' ILE . 23.0 t -59.33 -28.19 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -61.41 -38.04 85.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.558 ' OE1' ' HB3' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -99.93 -31.75 11.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.007 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.608 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -58.71 -29.7 66.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.55 -30.55 14.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.135 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.705 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -66.9 -43.9 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -70.32 -30.9 67.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.627 ' HB3' HD13 ' A' ' 109' ' ' LEU . 4.1 mt -71.55 -33.13 68.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.68 -31.14 64.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.2 t -68.7 -54.46 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -60.0 -39.58 86.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' HD12 ' A' ' 109' ' ' LEU . 7.1 m-20 -125.33 115.24 20.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -72.14 -31.11 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.98 68.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.627 HD13 ' HB3' ' A' ' 102' ' ' LEU . 4.6 mt -60.9 -28.47 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.1 mt -56.99 -35.01 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.008 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.0 p -83.56 -31.05 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -79.16 98.87 6.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -33.21 28.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -80.88 -30.49 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -80.01 -44.68 19.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 10.3 tp -60.26 -35.17 74.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.091 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.67 -30.05 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.37 -41.5 60.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.192 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 96.3 mt -72.95 -34.08 66.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -66.25 -46.31 77.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.113 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.64 -33.77 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -61.86 -44.57 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 127' ' ' VAL . 23.4 mt -73.88 -32.75 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 m -60.43 -59.19 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -59.01 -29.63 67.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -66.44 -36.69 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -83.32 -51.83 13.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.443 HG22 ' CD2' ' A' ' 90' ' ' LEU . 39.8 p -58.04 -35.91 71.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -79.81 -69.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -75.62 91.19 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.87 -68.7 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.08 133.82 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -127.14 134.99 50.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.38 136.72 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 68.7 p -70.55 -179.89 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.0 m 59.87 93.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.2 m -138.59 -174.09 3.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 134.84 -97.88 0.3 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.77 157.58 47.77 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.505 2.136 . . . . 0.0 112.236 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 p -158.38 110.26 2.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 p -162.33 174.71 12.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.559 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 t -154.65 99.95 2.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m 60.4 92.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.62 -118.47 5.8 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.53 129.64 19.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -88.15 -178.92 6.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.01 -104.75 2.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.73 -178.13 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.841 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.82 160.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 94' ' ' THR . 82.1 mt -71.81 -179.38 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.39 166.81 19.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.8 -30.79 70.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.28 -37.25 14.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.74 -38.66 83.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.27 -32.69 74.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -31.11 70.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.705 ' HB3' HG22 ' A' ' 127' ' ' VAL . 0.3 OUTLIER -73.43 -45.41 54.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.16 -31.04 43.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.14 -30.23 58.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.163 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.22 -31.3 16.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' HB2' HG21 ' A' ' 123' ' ' ILE . 27.3 m -73.74 -38.61 64.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 23' ' ' GLU . 11.2 p -59.34 -30.11 43.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.582 ' HG3' HG13 ' A' ' 22' ' ' VAL . 36.0 mt-10 -92.44 -15.8 26.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.82 -29.24 23.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 111.035 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.6 ptp -88.9 -26.25 21.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.181 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.3 -53.08 65.91 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.381 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.754 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 60.5 Cg_exo -51.72 -42.91 54.47 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.555 2.17 . . . . 0.0 112.298 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.4 p -73.63 -31.84 63.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.555 HD11 HD22 ' A' ' 119' ' ' LEU . 37.1 mt -74.32 152.82 88.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 140.56 40.75 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.531 2.154 . . . . 0.0 112.285 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 145.34 24.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 63.2 p -119.34 148.24 43.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -92.91 155.16 17.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.08 -30.52 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.005 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.43 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.44 -39.52 77.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -83.18 -26.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -56.79 -51.25 69.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -31.42 70.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HG22 ' A' ' 43' ' ' THR . 13.0 mt -65.9 -31.59 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.825 HD11 ' CD2' ' A' ' 55' ' ' PHE . 54.4 mt -83.07 -29.48 28.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 -24.41 58.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.076 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 40' ' ' LEU . 5.5 t -80.36 -35.07 35.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.083 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.421 ' ND2' HD12 ' A' ' 47' ' ' LEU . 1.2 m120 -111.87 136.78 50.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.1 -30.98 14.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -74.35 -40.21 62.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD12 ' ND2' ' A' ' 44' ' ' ASN . 20.7 mt -67.46 -49.8 61.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.33 75.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.033 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -66.66 -19.72 65.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.133 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.39 -66.87 0.86 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.242 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.5 pt -124.36 45.15 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.897 0.38 . . . . 0.0 111.356 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -97.05 -26.57 10.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.466 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.1 p-80 -71.59 -30.1 65.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 71' ' ' TYR . 15.3 mt -67.32 -34.91 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.825 ' CD2' HD11 ' A' ' 41' ' ' LEU . 34.5 m-85 -63.85 -31.13 72.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -83.44 -31.45 26.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.4 tpp -59.92 144.1 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.1 t30 -76.55 157.78 31.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -71.91 -31.39 66.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.69 -30.91 63.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.946 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.99 109.79 2.06 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.85 -26.8 32.24 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.71 -30.24 68.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.64 -43.36 93.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -60.52 -31.0 70.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -81.81 -35.86 29.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -68.98 -42.79 76.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.632 HG23 HD21 ' A' ' 110' ' ' LEU . 17.1 mt -71.74 -49.88 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -59.88 -31.26 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -63.55 -44.26 94.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 54' ' ' ILE . 62.5 m-85 -80.52 -31.62 37.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -69.56 87.33 0.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -166.33 99.39 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 mt -109.73 -32.03 2.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.447 ' CE1' HG11 ' A' ' 95' ' ' VAL . 15.1 m-85 -96.77 41.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.87 -153.72 16.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.53 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.99 -169.46 2.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.865 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 70' ' ' LYS . 31.9 p90 -115.2 -42.27 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.96 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 0.3 OUTLIER -146.05 89.29 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.0 t -138.8 76.77 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.27 101.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.8 mtt85 -120.58 161.73 20.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.01 29.91 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.1 p30 -177.37 37.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -130.41 28.64 3.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.518 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -97.34 74.3 2.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 -31.52 12.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD12 ' HG ' ' A' ' 93' ' ' LEU . 25.6 mt -60.69 176.18 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 90' ' ' LEU . 3.1 t -131.87 -50.03 0.96 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.412 ' N ' HG23 ' A' ' 89' ' ' THR . 3.3 tp -177.35 -59.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.612 ' O ' HG23 ' A' ' 95' ' ' VAL . 12.5 t-80 -57.94 -29.56 65.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -74.25 -38.83 63.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.06 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' HD12 ' A' ' 88' ' ' LEU . 5.1 mt -73.86 -30.49 62.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.503 ' HA ' HD11 ' A' ' 10' ' ' LEU . 6.7 m -63.85 -40.83 97.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.03 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -58.29 -45.54 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.279 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -59.93 -50.66 72.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.38 -45.46 79.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.027 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.37 -51.21 70.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.285 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.734 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -58.98 -29.12 66.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.279 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.72 -58.91 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.212 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -58.59 -36.33 73.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -65.34 -39.75 92.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.63 -33.36 75.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.4 t -64.78 -55.31 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.234 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -59.44 -31.3 69.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.402 ' HB2' HD12 ' A' ' 109' ' ' LEU . 1.6 m-20 -133.99 109.26 8.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.98 -30.51 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.3 -27.95 64.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.241 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 HD12 ' A' ' 119' ' ' LEU . 10.6 mt -64.97 -28.59 69.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.632 HD21 HG23 ' A' ' 68' ' ' ILE . 11.9 mt -57.84 -34.06 69.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.034 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.4 p -82.54 -34.41 27.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -89.98 113.12 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.819 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.62 -35.3 21.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.023 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.89 60.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.91 -43.6 67.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.734 HD21 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -75.36 -33.95 61.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -61.51 -30.51 70.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.13 -42.59 12.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.611 HD12 HD21 ' A' ' 109' ' ' LEU . 39.7 mt -59.88 -46.36 89.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.966 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.99 -47.58 79.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -63.41 -26.9 68.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -55.47 34.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 127' ' ' VAL . 43.2 mt -72.04 -26.1 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.29 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.417 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.6 m -56.11 -30.19 61.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.072 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -85.29 -32.01 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.5 -36.4 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.705 HG22 ' HB3' ' A' ' 17' ' ' SER . 21.6 t -71.15 -38.38 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.183 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.2 m -80.52 -33.98 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.424 ' CD2' ' HG3' ' A' ' 130' ' ' LYS . 32.8 t80 -60.54 -52.59 64.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.424 ' HG3' ' CD2' ' A' ' 129' ' ' TYR . 57.6 mttt -125.51 161.56 26.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -152.99 -51.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.9 t -176.56 157.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -113.79 87.77 2.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -140.68 -55.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 93.5 m -111.12 -31.93 6.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.4 p 49.74 91.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.167 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.8 p -152.54 78.11 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -89.28 -65.71 1.26 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.475 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.28 -54.01 5.94 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.62 2.213 . . . . 0.0 112.283 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.8 t -90.07 157.24 17.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.7 p -158.48 135.2 9.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.504 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -115.29 -61.13 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -70.54 -54.84 10.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.22 -128.73 0.98 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.484 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -126.96 -66.23 0.91 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.68 31.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.0 105.35 1.67 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.531 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -71.47 137.25 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.12 180.0 5.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 94' ' ' THR . 60.0 mt -69.22 176.7 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -104.42 178.93 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.84 -31.24 72.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.03 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.27 -47.73 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.548 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -59.86 -30.36 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.29 -33.86 32.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.84 -31.24 40.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.6 t -62.91 -33.75 75.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 14' ' ' ALA . 26.3 t -72.79 -42.89 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.11 -29.89 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.62 -34.64 18.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -77.07 -38.26 52.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.522 HG23 ' CD2' ' A' ' 102' ' ' LEU . 10.8 p -56.76 -27.78 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.272 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -86.92 -16.33 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.315 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -26.75 23.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.743 0.306 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.451 ' CE ' HD11 ' A' ' 123' ' ' ILE . 15.3 ptp -86.62 -22.82 25.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.341 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -62.36 -53.41 58.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.727 0.299 . . . . 0.0 111.319 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 53.7 Cg_exo -52.4 -45.54 39.05 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.522 2.148 . . . . 0.0 112.459 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.6 t -68.16 -34.0 75.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.967 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.15 160.24 17.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.07 171.98 12.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.515 2.143 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -65.33 146.73 54.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.48 123.55 3.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.36 152.94 50.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD23 ' HD1' ' A' ' 55' ' ' PHE . 1.4 mp -71.49 -35.23 70.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -62.53 -30.42 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.88 -38.71 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.4 m -89.9 -26.41 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -43.74 77.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -60.22 -30.83 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.932 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -31.93 60.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 55' ' ' PHE . 18.1 mt -80.53 -30.73 37.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -73.5 -25.07 60.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.42 -32.95 23.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.989 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -105.7 163.91 12.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -113.49 -36.81 4.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -62.75 -39.02 92.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.23 -45.89 45.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -31.11 70.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -74.64 -30.49 61.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.8 ttt -66.54 -66.39 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 pt -138.94 30.03 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.194 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -76.16 -35.98 41.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.418 ' CD2' HG13 ' A' ' 54' ' ' ILE . 18.7 p-80 -63.85 -32.07 73.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.802 0.334 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 53' ' ' HIS . 40.2 mt -70.46 -32.2 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.525 ' HD1' HD23 ' A' ' 34' ' ' LEU . 25.4 m-85 -68.31 -40.91 81.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -77.23 -29.88 54.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.63 168.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.49 152.48 21.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -100.36 30.26 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -177.6 38.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.98 161.59 22.4 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.58 -29.39 30.28 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.561 2.174 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -71.17 -32.43 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.804 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.1 OUTLIER -62.42 -35.18 78.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -59.99 -39.39 85.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -79.52 -30.63 41.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -67.31 -30.13 69.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.804 HD11 ' HD2' ' A' ' 64' ' ' LYS . 20.2 mt -93.14 -41.46 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.24 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -60.34 -26.11 66.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.32 18.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -78.78 -34.72 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.6 p -74.53 92.81 2.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -171.67 97.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mt -75.02 -52.43 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 92' ' ' GLU . 89.9 m-85 -97.43 126.18 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.12 -160.3 14.74 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.429 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.99 -175.12 5.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.938 0.399 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -79.14 -46.8 17.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.91 165.56 16.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.49 33.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -73.16 -32.7 65.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -83.06 173.1 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -117.99 -42.49 2.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.5 -78.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 173.56 -68.55 0.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -147.76 140.96 25.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.346 . . . . 0.0 110.968 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.2 138.58 31.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.791 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' ' 92' ' ' GLU . 3.0 mt 60.41 163.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.767 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.6 t -176.13 75.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.432 ' H ' HD12 ' A' ' 93' ' ' LEU . 9.6 tt 66.48 -71.52 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.06 -54.74 43.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.946 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.738 ' HB3' HD23 ' A' ' 88' ' ' LEU . 7.2 mp0 -58.97 -30.82 68.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.006 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.432 HD12 ' H ' ' A' ' 90' ' ' LEU . 84.5 mt -68.29 -30.88 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.478 ' HA ' HD11 ' A' ' 10' ' ' LEU . 9.4 m -76.05 -40.24 53.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.04 -31.01 51.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.155 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -67.99 -45.94 72.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.046 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -85.47 -26.89 26.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.214 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -55.81 -31.56 62.77 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.321 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -96.93 -29.66 13.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -59.92 -33.71 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -80.26 -31.46 38.43 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.522 ' CD2' HG23 ' A' ' 22' ' ' VAL . 3.3 mt -68.07 -38.68 82.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.5 m -65.29 -31.11 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 100' ' ' ALA . 29.1 t -61.62 -53.72 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -62.17 -52.86 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -115.07 103.49 10.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.926 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.31 -28.23 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.027 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.36 -28.24 64.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.64 -25.72 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.85 -30.82 62.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.2 p -80.44 -31.35 37.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -92.77 97.5 10.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.8 -41.9 51.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -61.85 -54.55 40.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 -33.7 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.562 ' HG ' ' HB1' ' A' ' 99' ' ' ALA . 14.2 tp -73.79 -31.52 63.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -80.46 -30.7 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.1 -47.08 30.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -48.83 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -59.19 -30.5 68.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.154 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -73.33 -30.64 63.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.13 -35.93 71.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 127' ' ' VAL . 34.9 mt -74.92 -32.36 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.403 ' HA ' HG21 ' A' ' 94' ' ' THR . 1.7 m -60.31 -54.56 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -31.42 71.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -64.39 -34.6 78.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -81.82 -37.73 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -74.04 -32.65 63.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -73.91 -60.41 2.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.18 137.52 36.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.87 -45.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 132' ' ' THR . 6.1 m 64.36 18.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -129.83 89.91 2.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.78 0.324 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -145.95 -65.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.7 -176.21 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 4.0 m 60.8 84.5 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.8 p -161.49 158.43 26.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 112.8 -90.55 0.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.07 -28.18 24.07 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.52 2.147 . . . . 0.0 112.283 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.4 m 60.62 167.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.9 p -73.8 -40.42 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.502 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -127.13 31.48 5.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.11 -37.04 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.11 -74.18 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 p -70.56 135.88 48.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.68 84.13 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.18 -144.6 27.39 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.77 144.81 16.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.55 172.54 7.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.781 HD11 ' HA ' ' A' ' 94' ' ' THR . 21.6 mt -61.7 -179.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.24 -167.95 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.0 -29.68 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -86.69 -45.23 11.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.45 65.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.97 -32.5 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.654 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.8 OUTLIER -60.76 -36.82 79.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.548 ' O ' HG12 ' A' ' 22' ' ' VAL . 21.5 t -78.55 -37.32 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.42 -29.5 70.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.172 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.88 -30.12 24.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.014 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -46.35 15.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.953 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.4 p -55.53 -28.75 23.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.281 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -24.14 37.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 28' ' ' THR . 29.4 mtt180 -90.22 -32.98 16.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.085 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 ptp -85.37 -26.68 26.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.613 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.6 -61.66 6.84 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.508 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 26.6 Cg_endo -62.39 -38.77 50.99 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.573 2.182 . . . . 0.0 112.539 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 24' ' ' ARG . 31.2 p -70.56 -30.34 67.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.41 145.04 75.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.17 146.67 41.24 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.68 160.41 32.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.71 167.92 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.41 ' OD2' HG13 ' A' ' 37' ' ' VAL . 5.5 p-10 -65.95 109.16 2.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.4 mt -98.59 -27.67 13.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -76.17 -45.25 34.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -47.43 85.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG13 ' OD2' ' A' ' 33' ' ' ASP . 14.0 m -59.23 -30.4 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.271 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.44 -39.37 87.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -69.43 -30.58 68.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -33.71 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 48' ' ' ALA . 96.2 mt -70.92 -44.13 66.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.11 -27.76 68.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 78.5 p -88.53 -33.65 17.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.018 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -96.58 174.6 6.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -132.59 -46.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -60.13 -51.26 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.05 -31.22 70.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HA ' HD22 ' A' ' 41' ' ' LEU . . . -71.04 -27.85 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -90.45 -27.07 19.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -73.77 -59.67 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 110' ' ' LEU . 11.9 pt -135.98 28.63 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.258 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.78 -39.36 7.11 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -59.25 -29.05 67.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.754 0.311 . . . . 0.0 110.938 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.5 mt -72.48 -34.04 47.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.055 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 4.5 m-85 -60.74 -49.77 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -72.89 -25.34 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.049 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.0 162.27 1.36 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.072 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -59.38 176.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -107.99 -31.27 8.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -101.02 33.36 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.75 140.39 21.32 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.17 -34.43 8.1 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.515 2.143 . . . . 0.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -60.23 -27.54 67.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.035 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -56.65 -45.58 81.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -69.27 -35.44 76.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -69.43 -31.64 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -77.13 -38.13 52.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.699 HG23 HD21 ' A' ' 110' ' ' LEU . 11.3 mt -77.92 -34.44 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.7 mtp85 -64.31 -31.39 72.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.39 -55.15 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -66.86 -31.4 71.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -69.14 71.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.79 101.78 3.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.046 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.536 HG21 ' CE2' ' A' ' 117' ' ' PHE . 12.4 mt -102.76 -31.39 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 92' ' ' GLU . 24.3 m-85 -112.44 120.76 42.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.49 -36.04 4.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 tpt85 60.36 -163.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -94.8 -29.77 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -131.64 25.53 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.054 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.93 97.77 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.019 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -111.47 -33.28 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -74.84 104.92 5.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -122.64 90.1 3.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -147.02 32.32 0.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.01 36.92 50.83 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -138.68 104.59 5.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -106.03 177.94 4.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 92' ' ' GLU . 12.5 mt -85.89 99.43 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 5.3 t -98.98 -42.08 7.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.627 HD11 ' CZ ' ' A' ' 131' ' ' TYR . 17.0 tp -176.25 -64.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.416 ' O ' HG23 ' A' ' 95' ' ' VAL . 13.8 t-160 -59.98 -31.09 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -67.12 -48.01 69.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.03 -30.88 69.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.781 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -64.76 -37.29 87.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -69.16 -30.65 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.212 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -62.92 -55.55 24.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.602 ' HB2' HD12 ' A' ' 10' ' ' LEU . 5.4 mt-10 -79.22 -22.36 44.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -54.6 -45.95 73.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.803 0.335 . . . . 0.0 111.23 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.81 24.99 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.292 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.07 -34.13 10.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.037 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -91.25 -30.94 16.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.022 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 22' ' ' VAL . 40.8 mt -60.01 -42.23 93.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.0 m -59.88 -34.61 73.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.36 -42.62 94.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -72.17 -35.79 69.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -131.08 103.7 6.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.434 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.7 OUTLIER -63.53 -29.7 70.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.0 -29.09 65.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 116' ' ' LEU . 13.7 mt -62.54 -28.78 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.699 HD21 HG23 ' A' ' 68' ' ' ILE . 54.0 mt -58.92 -34.28 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.2 p -82.53 -30.53 29.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -103.54 103.14 13.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -77.48 -31.61 53.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -63.7 -52.64 59.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -63.02 -31.52 72.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.551 ' CG ' ' HB1' ' A' ' 99' ' ' ALA . 20.2 tp -76.84 -30.83 56.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.536 ' CE2' HG21 ' A' ' 74' ' ' ILE . 2.9 t80 -71.07 -40.67 71.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -34.21 77.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.76 -30.6 51.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.96 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.867 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -73.74 -37.33 65.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -75.84 -30.28 58.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -62.16 -30.22 70.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.1 mt -95.53 -30.39 4.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.5 m -59.22 -31.11 68.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -80.19 -31.12 38.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.32 -31.52 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.654 HG22 ' HB2' ' A' ' 17' ' ' SER . 21.5 t -77.68 -37.55 24.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 m -71.16 -29.66 65.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -58.79 -66.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.26 59.53 1.01 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.627 ' CZ ' HD11 ' A' ' 90' ' ' LEU . 1.5 t80 -90.89 -60.35 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -154.49 110.3 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -67.1 143.82 56.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -172.21 2.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 74.5 p -81.37 109.59 16.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 51.3 p -60.34 -34.61 74.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.18 76.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.807 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.94 95.45 0.87 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.532 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.23 107.06 1.49 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.577 2.185 . . . . 0.0 112.302 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -71.48 161.89 30.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.85 -66.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.462 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 112.556 -0.217 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.97 141.71 42.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 60.45 175.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.97 159.51 27.84 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.23 -52.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 m 60.47 176.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.55 -104.66 0.87 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.07 -176.36 1.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.348 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.726 ' CB ' HD22 ' A' ' 93' ' ' LEU . . . -103.66 -75.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD11 ' HA ' ' A' ' 94' ' ' THR . 77.1 mt -74.82 -179.64 4.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -109.94 -176.43 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.035 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.24 -31.31 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.99 -42.39 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.076 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -31.02 71.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.62 -29.36 63.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -45.79 88.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -60.54 -35.86 77.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.83 -30.06 43.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.19 -31.17 21.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -79.0 -31.82 44.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.4 t -76.34 -45.96 29.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -58.83 -27.98 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.257 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -82.0 -19.67 40.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.319 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -91.17 -29.78 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.218 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.511 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.5 ptp -88.58 -29.18 20.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.154 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.99 -53.13 68.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.258 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.7 Cg_exo -52.95 -30.75 49.75 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.469 2.113 . . . . 0.0 112.323 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -87.81 -33.96 18.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.95 149.34 97.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.86 177.41 5.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.51 2.14 . . . . 0.0 112.306 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.04 124.4 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.5 p -82.93 117.88 23.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.97 128.1 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 ' HA ' HG22 ' A' ' 37' ' ' VAL . 2.0 mp -71.28 -29.57 65.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -59.45 -31.55 69.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.44 -57.78 3.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.559 HG21 ' CE2' ' A' ' 55' ' ' PHE . 31.5 m -59.79 -30.71 45.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -60.98 -50.43 73.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -30.47 60.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' O ' HG22 ' A' ' 43' ' ' THR . 0.2 OUTLIER -69.8 -51.61 32.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' A' ' 55' ' ' PHE . 21.5 mt -64.11 -36.92 85.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.988 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -29.95 67.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 40' ' ' LEU . 8.9 t -97.43 -33.04 11.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -84.92 149.79 25.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -114.48 -37.44 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -67.33 -44.09 79.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.049 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.4 mt -75.91 -39.57 55.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.02 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.27 -31.37 71.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -82.83 -27.19 31.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.1 ttt -82.74 -65.85 0.96 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.5 pt -125.49 45.08 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.197 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -103.83 -26.67 6.65 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.578 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.444 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.6 p-80 -65.72 -29.46 69.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.779 0.323 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.444 HG13 ' CD2' ' A' ' 53' ' ' HIS . 10.8 mt -66.01 -50.6 68.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.07 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' HG21 ' A' ' 37' ' ' VAL . 83.5 m-85 -60.28 -37.38 80.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.94 -31.39 66.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 ttp -66.87 169.64 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -63.48 176.62 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.82 -31.6 7.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -99.62 31.55 3.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.74 142.97 25.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.69 -26.79 27.56 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.509 2.139 . . . . 0.0 112.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -59.89 -34.35 73.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HD3' HD11 ' A' ' 68' ' ' ILE . 4.2 tttp -56.09 -46.75 78.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.77 -30.31 68.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.05 -37.41 34.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -68.49 -42.59 78.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 104' ' ' VAL . 17.8 mt -71.27 -41.37 74.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -60.85 -26.65 67.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.68 -44.7 40.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.111 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -80.08 -40.22 28.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 97.3 p -70.06 93.53 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB1' ' ND2' ' A' ' 96' ' ' ASN . . . -157.06 -48.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mt 69.66 -65.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.467 ' HB3' HD23 ' A' ' 88' ' ' LEU . 86.8 m-85 -85.81 134.4 33.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.33 131.22 0.78 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.3 170.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -57.32 -40.57 78.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -99.91 -176.34 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 m -162.96 107.73 1.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -128.78 -66.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -69.71 161.35 29.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.13 -65.13 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 68.92 -68.71 0.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -163.17 67.65 0.23 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.597 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.0 tttm 60.53 178.24 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 0.0 110.808 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -154.21 -56.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.036 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 75' ' ' TYR . 27.0 mt -102.55 115.52 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.1 p -83.69 -166.6 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.653 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tp -76.18 -30.4 58.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.425 ' O ' HG23 ' A' ' 95' ' ' VAL . 17.5 t-80 -85.22 -41.57 15.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.023 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 0.5 OUTLIER -64.24 -32.95 74.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.726 HD22 ' CB ' ' A' ' 9' ' ' ALA . 12.4 mt -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.57 ' HA ' HD11 ' A' ' 10' ' ' LEU . 1.4 m -74.5 -29.94 61.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.458 HG11 ' HE2' ' A' ' 75' ' ' TYR . 35.7 t -71.1 -30.25 40.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.635 ' ND2' ' HB1' ' A' ' 73' ' ' ALA . 26.1 t-20 -66.41 -31.22 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 -30.74 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.65 -38.96 79.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.05 20.82 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.337 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.57 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.0 -37.38 9.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -83.14 -31.01 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.429 HD11 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -69.92 -42.03 73.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 116' ' ' LEU . 1.3 m -60.1 -31.51 70.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.577 ' HA ' HD13 ' A' ' 68' ' ' ILE . 29.8 t -61.69 -46.23 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.28 -37.76 68.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.804 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.598 ' HB2' HD12 ' A' ' 109' ' ' LEU . 54.4 m-20 -114.86 100.55 8.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.416 ' HB3' ' CE2' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -66.83 -29.35 69.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.956 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.78 -29.82 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.632 HD21 HD12 ' A' ' 119' ' ' LEU . 10.5 mt -59.63 -33.59 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.54 -30.02 68.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.7 p -84.62 -31.04 24.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.6 mtt180 -102.17 114.19 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 -87.77 -33.01 18.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.72 -30.96 72.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -80.37 -50.57 9.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.66 HD11 ' HB1' ' A' ' 99' ' ' ALA . 25.1 tp -61.83 -35.34 77.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -66.65 -30.41 70.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -88.42 -30.82 19.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.227 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.632 HD12 HD21 ' A' ' 109' ' ' LEU . 56.9 mt -71.69 -40.67 69.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.958 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -67.46 -37.15 82.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -30.85 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -60.63 -38.27 84.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.68 ' O ' HG23 ' A' ' 127' ' ' VAL . 30.3 mt -92.27 -33.41 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.224 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 7.9 t -63.47 -30.69 71.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.01 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -89.87 -30.7 17.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.73 -41.43 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.5 t -65.41 -56.28 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.06 -30.92 68.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -60.07 -61.4 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.66 116.6 12.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.93 -166.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.16 177.99 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -72.77 159.87 33.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -141.99 -61.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.5 t -158.61 -46.38 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 65.2 p -137.43 112.24 8.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 35.6 p -102.7 -43.77 5.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.983 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 154.34 89.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -68.19 -26.07 36.51 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.622 2.214 . . . . 0.0 112.278 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.3 m -68.73 97.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.73 -54.12 3.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.455 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -70.43 171.17 10.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.744 0.307 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.5 p -127.53 -47.61 1.43 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.77 -121.47 0.18 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -132.17 123.64 27.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -173.52 106.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.27 -53.59 4.43 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.544 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -62.22 -179.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.737 ' CB ' HD22 ' A' ' 93' ' ' LEU . . . -157.5 -56.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.7 HD11 ' HA ' ' A' ' 94' ' ' THR . 2.7 mt -63.41 176.07 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.2 179.46 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.976 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -43.11 98.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.195 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.22 -55.43 25.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.623 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -63.03 -47.06 84.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.0 68.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.151 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.07 -41.81 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 t -61.97 -33.04 73.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 14' ' ' ALA . 21.8 t -68.1 -37.07 77.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' HB2' HE22 ' A' ' 101' ' ' GLN . . . -77.08 -34.75 56.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -73.91 -31.3 63.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 m -75.35 -49.24 19.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -59.46 -42.55 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.5 mm-40 -69.9 -16.25 63.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.637 ' O ' HG23 ' A' ' 28' ' ' THR . 2.3 mmt-85 -85.81 -42.31 14.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.498 ' CE ' HD11 ' A' ' 123' ' ' ILE . 3.4 ptp -77.5 -25.0 49.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.25 -57.17 21.58 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.577 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.57 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.8 Cg_endo -65.42 -29.67 53.55 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.421 2.081 . . . . 0.0 112.628 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 24' ' ' ARG . 14.4 p -78.68 -29.51 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 71.7 mt -86.09 150.11 51.68 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.32 173.94 10.72 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.585 2.19 . . . . 0.0 112.324 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 -177.14 6.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.39 170.7 15.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.85 131.07 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 mp -83.98 -28.95 27.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -57.8 -30.55 65.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -69.19 -46.64 66.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.6 m -75.65 -28.59 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.183 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.3 -48.09 79.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.049 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -61.88 -31.05 71.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.33 -44.25 75.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 55' ' ' PHE . 58.5 mt -60.93 -39.23 88.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -30.46 69.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 60.4 p -95.62 -33.63 12.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -98.58 111.23 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -75.01 -37.4 61.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -59.57 -47.49 85.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.26 -37.5 71.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.64 -27.95 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.22 -28.03 17.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.53 -59.46 2.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.83 HD11 HG22 ' A' ' 111' ' ' THR . 16.7 pt -134.33 36.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.291 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -91.35 -27.66 17.27 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 -75.51 -28.55 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.4 mt -67.6 -31.24 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.458 ' CD2' HD11 ' A' ' 41' ' ' LEU . 39.6 m-85 -66.37 -39.72 89.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -75.34 -29.1 59.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.96 156.3 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -72.08 -178.24 2.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.99 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -99.2 -28.56 13.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.48 39.63 1.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.87 107.37 57.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.3 -33.29 28.22 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.479 2.119 . . . . 0.0 112.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.82 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -44.53 95.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.66 -34.81 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -31.05 64.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -75.6 -40.92 55.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG2' ' CB ' ' A' ' 103' ' ' CYS . 21.7 mt -68.27 -47.01 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.052 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -61.33 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -70.18 -59.46 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -65.67 -33.58 76.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.2 m -90.9 79.74 5.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.85 -51.11 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.3 mt 69.68 -66.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 92' ' ' GLU . 95.1 m-85 -85.04 96.45 9.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.63 -132.28 10.98 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -165.03 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 79' ' ' ASP . 51.2 p90 -174.19 -45.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' N ' ' CD1' ' A' ' 78' ' ' PHE . 7.2 t70 -65.99 159.14 26.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.73 138.2 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -120.93 112.88 19.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -95.32 72.09 3.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.9 ttpp -95.09 -37.43 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.9 t70 60.21 105.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.6 -28.06 2.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 tttt -170.31 142.41 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.661 ' O ' HD23 ' A' ' 88' ' ' LEU . 23.6 t-160 -174.06 -68.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 87' ' ' HIS . 28.5 mt -148.07 133.77 18.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.5 t -114.04 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp 69.51 -64.86 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 95' ' ' VAL . 10.9 t-80 -50.87 -27.47 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.171 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.634 ' HB3' HD22 ' A' ' 88' ' ' LEU . 21.1 mt-10 -80.43 -29.23 37.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.05 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.737 HD22 ' CB ' ' A' ' 9' ' ' ALA . 43.0 mt -75.19 -34.57 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.7 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -62.46 -48.36 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.068 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.5 t -58.13 -28.88 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.29 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -62.17 -56.87 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.048 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -76.42 -28.47 56.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.41 -50.14 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.274 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.643 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.87 -28.44 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.215 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.641 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -58.46 -57.98 10.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.239 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.491 HE22 ' HB2' ' A' ' 19' ' ' ALA . 35.7 mt-30 -59.71 -32.98 71.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' HB3' HD13 ' A' ' 109' ' ' LEU . 16.2 mt -66.08 -46.41 77.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . 7.6 m -60.33 -35.24 75.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -61.21 -51.77 69.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -62.91 -34.2 76.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -130.96 112.27 12.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.28 -29.73 69.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.57 70.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD13 ' HB3' ' A' ' 102' ' ' LEU . 11.8 mt -59.04 -29.24 67.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.083 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.55 -45.52 85.0 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.83 HG22 HD11 ' A' ' 51' ' ' ILE . 69.6 p -71.68 -32.21 67.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.68 115.0 23.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -93.99 -32.2 13.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -69.71 -49.43 53.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 -35.2 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.643 HD21 ' HB1' ' A' ' 99' ' ' ALA . 44.0 tp -76.08 -38.26 57.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -66.53 -26.41 67.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.03 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.64 -53.2 6.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.288 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 47.8 mt -59.05 -50.14 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.87 -53.92 52.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.6 ttt-85 -58.68 -29.4 66.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.057 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -64.48 -38.09 89.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.015 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.498 HD11 ' CE ' ' A' ' 25' ' ' MET . 33.3 mt -73.17 -32.62 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -64.08 -29.4 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -76.01 -35.17 59.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.23 -49.6 73.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.554 HG12 ' HE2' ' A' ' 131' ' ' TYR . 21.5 t -61.63 -44.23 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.6 m -64.33 -24.57 67.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -55.02 -62.9 1.36 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.16 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -104.46 139.46 39.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.554 ' HE2' HG12 ' A' ' 127' ' ' VAL . 0.1 OUTLIER -177.07 111.83 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.04 127.59 34.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.54 113.62 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -90.08 88.38 7.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 7.8 t -128.17 131.28 48.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.3 p -101.74 81.35 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.9 m -148.74 30.36 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 166.52 61.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.94 -36.01 8.33 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.549 2.166 . . . . 0.0 112.344 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.83 -173.71 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.2 m 60.31 178.52 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.484 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.63 36.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m 60.52 31.41 20.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.0 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.15 -148.25 4.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -135.19 160.17 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.0 -56.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.76 103.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -129.47 -177.59 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.19 -176.28 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 94' ' ' THR . 57.4 mt -61.14 -179.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.33 177.85 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.724 ' O ' HD12 ' A' ' 16' ' ' LEU . . . -77.64 -30.62 52.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.219 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.24 -44.55 16.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.39 -48.38 79.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.13 -32.61 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.5 OUTLIER -60.33 -39.49 87.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.85 -31.02 67.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.507 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -70.8 -55.93 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.15 -30.17 67.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.43 -37.57 51.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -72.05 -46.27 57.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.02 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.16 -29.88 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.248 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.1 -14.09 42.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.64 -28.03 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.084 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.632 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.6 ptp -88.31 -30.71 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -60.23 -53.25 66.8 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.158 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 51.5 Cg_exo -54.15 -47.7 25.59 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.509 2.14 . . . . 0.0 112.301 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -70.95 -33.35 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 29' ' ' LEU . 12.6 mt -62.32 132.88 94.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.37 -178.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.47 2.114 . . . . 0.0 112.319 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -118.93 162.52 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -125.11 140.61 52.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.09 108.72 1.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.69 -30.89 71.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -60.18 -30.88 69.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.69 -61.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.9 m -59.63 -29.13 41.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -63.2 -50.55 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -31.17 69.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.11 -33.76 76.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.2 mt -73.36 -44.07 59.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 -29.6 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.9 p -90.35 -31.44 16.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -104.33 101.22 10.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -30.97 71.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.004 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -58.86 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.2 mt -63.85 -38.65 91.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.4 -31.33 69.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.7 tttm -84.24 -29.98 26.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -72.7 -66.81 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.651 HD11 HG22 ' A' ' 111' ' ' THR . 8.4 pt -130.15 45.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -109.68 -27.15 4.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.534 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.0 p-80 -70.94 -29.22 65.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.727 0.299 . . . . 0.0 110.984 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.5 mt -69.63 -30.65 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.151 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' CE1' ' HB3' ' A' ' 107' ' ' ASN . 19.4 m-85 -62.86 -42.39 99.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.992 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.87 -30.35 62.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.64 127.04 30.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -67.41 153.66 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -62.99 -26.52 68.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -88.99 51.81 2.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.935 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 1.2 t70 -135.24 99.02 12.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.814 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.75 -24.18 12.76 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.394 2.063 . . . . 0.0 112.449 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -68.82 -27.59 65.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.777 ' HD2' HD11 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -55.29 -36.07 65.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.077 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.96 -30.17 68.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.981 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -78.5 -36.08 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.034 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -73.25 -47.64 41.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.777 HD11 ' HD2' ' A' ' 64' ' ' LYS . 4.5 mt -66.09 -43.32 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.254 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -68.4 -41.31 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.056 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -59.23 -38.5 80.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -88.71 -31.56 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 18.6 m -64.51 94.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -158.59 128.29 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.2 mt -119.37 -37.5 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.328 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 -97.41 -45.2 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.006 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 178.6 85.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.513 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.37 168.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.968 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' A' ' 79' ' ' ASP . 54.7 p90 -78.62 -41.11 32.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.866 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.429 ' HB2' ' CD2' ' A' ' 78' ' ' PHE . 10.4 t70 -118.79 163.17 17.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.07 144.51 57.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.74 123.76 8.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.838 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.9 94.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -74.11 141.45 45.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.11 -48.8 0.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.774 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.75 -39.0 0.12 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -143.74 151.31 39.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -167.5 -63.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.664 HD23 ' HB3' ' A' ' 92' ' ' GLU . 5.4 mt -138.61 160.95 38.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.408 HG23 ' H ' ' A' ' 90' ' ' LEU . 1.2 t -132.99 -53.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.913 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.408 ' H ' HG23 ' A' ' 89' ' ' THR . 1.3 tp -168.32 -66.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.651 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.6 OUTLIER -61.25 -30.74 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.664 ' HB3' HD23 ' A' ' 88' ' ' LEU . 28.5 mt-10 -75.42 -29.87 59.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.432 ' HG ' HD13 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -77.4 -39.73 46.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.649 ' HA ' HD11 ' A' ' 10' ' ' LEU . 8.0 m -59.24 -31.15 68.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.9 t -64.44 -55.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -59.77 -43.02 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.597 ' HG2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -54.75 42.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.51 -35.0 79.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.31 -31.66 72.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.62 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -79.73 -43.82 21.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -60.45 -31.13 70.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.632 HD21 ' SD ' ' A' ' 25' ' ' MET . 14.9 mt -74.98 -41.47 59.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.96 -31.55 69.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 100' ' ' ALA . 28.4 t -64.24 -51.21 71.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.94 -53.93 52.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -114.08 112.58 23.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -67.4 -27.82 67.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.36 -28.91 69.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.218 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.452 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.0 mt -57.21 -28.69 63.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.021 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.15 -30.44 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.956 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.651 HG22 HD11 ' A' ' 51' ' ' ILE . 70.7 p -80.42 -39.3 28.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -84.31 122.97 29.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -97.81 -31.22 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -71.83 -43.16 66.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -65.98 -44.69 84.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.47 -30.01 70.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -78.87 -29.54 44.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.28 -32.17 33.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 86.5 mt -76.6 -48.06 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -59.44 -48.82 80.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -31.2 68.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.8 -30.15 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.864 ' O ' HG23 ' A' ' 127' ' ' VAL . 15.1 mt -89.95 -35.0 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -61.02 -30.16 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.33 -37.86 31.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.964 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.84 -43.71 67.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 123' ' ' ILE . 32.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.1 m -96.37 -23.15 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -57.18 -46.76 82.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.113 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.92 -37.41 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.119 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 2.6 t80 64.03 104.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.1 m 62.19 150.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -94.51 90.8 6.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.38 150.23 45.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.8 t -132.27 174.27 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.0 p -89.18 53.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.944 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 74.1 m -113.08 -62.47 1.58 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 138.38 101.36 0.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.569 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.52 102.43 0.72 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.457 2.105 . . . . 0.0 112.282 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 4.2 m 60.92 31.57 19.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.8 t -114.48 -66.21 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.514 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -74.68 176.88 6.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -124.5 33.42 5.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.14 -55.76 0.5 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.473 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 m -158.39 -47.03 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.9 m -87.44 89.82 8.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.24 46.02 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.17 139.08 53.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -112.64 -170.56 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 HD11 ' HA ' ' A' ' 94' ' ' THR . 84.1 mt -59.34 163.65 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -82.66 -177.99 6.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.1 -49.22 62.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.046 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.95 73.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.49 -49.43 22.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.98 85.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.88 -40.7 93.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -31.39 70.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.4 t -70.88 -48.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HA ' HG12 ' A' ' 22' ' ' VAL . . . -65.12 -31.24 72.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -74.19 -34.5 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.53 -48.33 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 11.2 p -59.47 -32.51 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.59 -23.66 58.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -88.82 -48.73 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.691 ' SD ' HD21 ' A' ' 102' ' ' LEU . 13.8 ptp -69.51 -27.0 64.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.6 ' HB3' ' CD ' ' A' ' 27' ' ' PRO . . . -56.29 -61.31 6.85 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.593 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.6 ' CD ' ' HB3' ' A' ' 26' ' ' ALA . 19.2 Cg_endo -60.4 -42.65 39.59 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.445 2.097 . . . . 0.0 112.555 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.6 -29.42 70.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.9 mt -66.61 133.83 94.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.751 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.85 -168.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.525 2.15 . . . . 0.0 112.397 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -131.39 157.97 42.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -133.71 163.27 29.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.6 131.07 35.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.0 -30.69 67.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.058 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -65.91 -38.31 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -63.71 -54.11 40.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' HA ' HD12 ' A' ' 40' ' ' LEU . 15.5 m -58.9 -29.51 40.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.235 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -59.01 -46.14 88.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.34 -30.84 71.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 43' ' ' THR . 1.9 mt -59.64 -34.16 72.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 55' ' ' PHE . 14.9 mt -81.17 -35.62 31.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -63.44 -29.61 70.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 40' ' ' LEU . 6.5 t -81.15 -32.3 33.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.644 ' CB ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -96.24 162.37 13.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.98 -32.17 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.93 -35.1 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD12 ' CB ' ' A' ' 44' ' ' ASN . 22.5 mt -71.6 -40.29 69.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -23.55 61.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.38 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.68 -29.82 15.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.084 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.4 ttp -80.09 -64.96 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.008 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 54' ' ' ILE . 14.2 pt -124.05 37.24 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.69 -27.35 22.27 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.426 ' CD2' HG13 ' A' ' 54' ' ' ILE . 27.1 p-80 -76.2 -31.54 58.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 51' ' ' ILE . 7.5 mt -64.2 -37.45 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.737 ' CD2' HD11 ' A' ' 41' ' ' LEU . 26.0 m-85 -68.0 -31.39 71.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -82.34 -32.92 29.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.7 166.42 5.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.25 -169.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.05 31.44 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -156.27 30.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.87 141.69 23.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.89 -27.93 25.24 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.537 2.158 . . . . 0.0 112.29 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -78.18 -28.25 48.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.584 ' HG2' HD11 ' A' ' 68' ' ' ILE . 68.8 tttt -57.57 -45.26 85.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -60.83 -31.92 71.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -69.02 -45.25 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.19 -41.03 94.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD11 ' HG2' ' A' ' 64' ' ' LYS . 15.0 mt -71.39 -33.4 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.027 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -76.34 -43.39 41.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -62.05 -35.74 79.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -81.62 -31.09 32.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 87.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -144.59 118.34 9.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.507 HG21 ' CD1' ' A' ' 117' ' ' PHE . 4.6 mt -112.07 -34.45 2.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.048 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.444 ' CD1' ' HG3' ' A' ' 92' ' ' GLU . 26.8 m-85 -103.87 -58.94 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -126.0 145.45 15.72 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.603 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -162.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.701 0.286 . . . . 0.0 110.787 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -98.19 -29.39 13.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -84.2 137.6 33.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.902 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -76.24 151.78 36.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -109.63 -23.54 11.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.71 80.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.825 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.8 -65.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -76.58 -31.39 57.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.32 28.97 21.0 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.04 153.25 13.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.08 98.72 8.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.605 HD13 ' HG ' ' A' ' 93' ' ' LEU . 1.8 mt 60.55 -178.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.7 t -127.69 -51.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.982 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 tp -176.31 -61.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.56 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.5 t-80 -58.35 -50.71 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 75' ' ' TYR . 15.5 mp0 -60.23 -30.47 69.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.605 ' HG ' HD13 ' A' ' 88' ' ' LEU . 4.7 mt -69.58 -42.46 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.458 ' HA ' HD11 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.89 -31.22 72.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 91' ' ' HIS . 31.8 t -70.05 -45.61 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.2 -31.25 71.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.52 -34.56 18.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB1' HD12 ' A' ' 123' ' ' ILE . . . -60.37 -36.74 78.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -97.37 24.03 6.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.277 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -100.04 -41.55 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -78.91 -34.04 45.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.691 HD21 ' SD ' ' A' ' 25' ' ' MET . 8.9 mt -58.92 -44.54 91.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.07 -31.02 69.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.05 -49.47 81.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -65.36 -50.42 65.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -114.37 106.62 14.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.64 -25.15 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.045 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.58 70.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.17 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.91 -28.75 64.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 68' ' ' ILE . 7.6 mt -57.55 -37.82 73.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 2.6 p -81.18 -31.84 33.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -93.84 104.18 16.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.0 mtm-85 -85.63 -33.2 21.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.22 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -82.99 -35.59 25.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.797 HD11 ' HB1' ' A' ' 99' ' ' ALA . 30.7 tp -73.1 -47.49 43.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.507 ' CD1' HG21 ' A' ' 74' ' ' ILE . 25.7 t80 -60.19 -30.74 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -68.92 -44.7 72.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.73 -40.18 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.919 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.27 -30.49 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.159 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.79 23.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.021 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -35.25 76.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.704 ' O ' HG23 ' A' ' 127' ' ' VAL . 29.0 mt -79.68 -38.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.257 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.2 t -60.54 -30.61 69.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.052 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -76.7 -29.86 56.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.97 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.66 -43.55 30.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -60.1 -30.86 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.147 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.9 m -77.98 -28.03 49.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.955 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -57.11 -67.93 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.96 102.9 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -168.16 -75.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.13 151.11 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -94.95 -32.07 13.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.96 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.01 146.5 54.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.1 m -119.6 151.76 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.64 157.24 33.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.27 -177.81 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -137.44 168.32 24.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.492 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.28 -176.42 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.594 2.196 . . . . 0.0 112.342 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 13.4 m -80.6 79.79 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.5 m -112.59 -57.07 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.557 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.557 -0.217 . . . . 0.0 112.557 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -134.87 166.72 22.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -120.9 156.41 32.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.04 -146.6 10.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.458 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 p -114.77 87.15 2.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -77.84 -60.4 2.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.06 104.92 0.19 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -141.54 134.6 29.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.86 -167.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 94' ' ' THR . 44.5 mt -58.91 172.33 0.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -113.93 176.97 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.66 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -88.03 -31.86 19.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -49.14 78.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.504 ' HB3' HG22 ' A' ' 127' ' ' VAL . 1.2 m -60.47 -30.0 69.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.986 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 14' ' ' ALA . 28.5 t -73.17 -30.32 30.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.18 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.6 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -80.23 -33.7 37.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -75.31 -45.82 37.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.3 p -58.49 -28.94 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.236 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -87.79 -19.53 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.297 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -84.03 -26.72 28.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.084 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.561 ' SD ' HD21 ' A' ' 102' ' ' LEU . 10.0 ptp -86.63 -25.65 24.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.302 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -55.83 -53.68 60.33 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.279 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.773 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 63.2 Cg_exo -51.29 -32.91 43.21 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.547 2.165 . . . . 0.0 112.372 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -86.2 -31.02 21.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 26' ' ' ALA . 25.5 mt -59.43 147.9 75.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.45 153.77 60.74 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.529 2.153 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -68.26 119.64 13.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -84.02 -179.96 7.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -146.67 141.8 27.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.44 -30.92 17.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -42.98 65.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -59.85 -31.59 69.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.9 m -86.52 -28.99 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -58.15 -46.74 85.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.84 -25.58 63.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -86.87 -10.04 54.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.369 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.761 HD11 ' CD2' ' A' ' 55' ' ' PHE . 51.4 mt -93.69 -65.81 0.96 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.754 0.311 . . . . 0.0 111.118 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.64 -23.34 16.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.479 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 14.3 t -80.11 -32.08 39.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.83 0.347 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -97.08 175.87 6.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.8 mtmm -122.06 -42.61 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.39 -63.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.56 -40.45 87.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.992 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' LEU . . . -61.5 -26.95 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -93.49 -38.26 11.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.1 ttt -66.4 -66.58 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.039 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 ' HB3' ' A' ' 110' ' ' LEU . 2.3 pt -129.16 38.88 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -90.76 -28.63 15.43 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -75.36 -27.62 59.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.765 0.317 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.698 HD11 ' CE2' ' A' ' 71' ' ' TYR . 40.9 mt -66.02 -38.78 82.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.761 ' CD2' HD11 ' A' ' 41' ' ' LEU . 41.3 m-85 -65.04 -36.24 83.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -81.32 -28.19 34.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.33 174.83 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.38 -170.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -125.9 71.76 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -122.34 144.16 41.2 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.05 -39.76 84.16 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.477 2.118 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -64.63 -29.45 70.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.605 ' HD3' HD11 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -60.35 -53.12 61.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -65.19 -30.7 71.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.095 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.69 -30.12 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.014 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -81.3 -45.46 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.009 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.605 HD11 ' HD3' ' A' ' 64' ' ' LYS . 8.9 mt -66.25 -44.76 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.0 mtp-105 -59.62 -31.22 69.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -74.69 -37.34 62.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CE2' HD11 ' A' ' 54' ' ' ILE . 17.3 m-85 -78.41 -46.29 20.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.8 m -69.1 77.74 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.44 89.34 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.425 HD13 ' HD1' ' A' ' 117' ' ' PHE . 2.8 mt -63.41 -39.23 84.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.071 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -111.13 -177.13 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.86 148.92 0.97 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.29 -169.49 1.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.858 0.361 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -160.92 37.88 0.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -160.46 102.31 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.8 p -70.97 84.69 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -134.08 -46.0 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.983 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -115.9 160.98 19.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -79.34 119.92 23.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -148.24 104.26 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -139.2 37.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.564 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -138.57 31.07 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 0.0 110.846 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -107.49 -31.74 8.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.8 mt -115.82 138.51 51.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.6 t -136.15 -51.82 0.72 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 tp -167.86 -66.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.764 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -61.41 -31.85 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.21 -48.27 73.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.84 -38.68 91.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.769 ' HA ' HD21 ' A' ' 10' ' ' LEU . 1.2 m -62.78 -28.87 70.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 91' ' ' HIS . 25.1 t -90.5 -30.92 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.243 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -62.67 -52.14 64.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.11 -27.28 42.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.146 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -56.07 -29.88 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.403 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -91.38 -22.2 20.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.378 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.698 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.25 -39.86 73.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.286 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -81.6 -31.42 32.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.561 HD21 ' SD ' ' A' ' 25' ' ' MET . 3.0 mt -68.73 -31.17 70.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.4 m -75.7 -30.92 59.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.032 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 100' ' ' ALA . 27.4 t -64.63 -65.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -59.15 -30.62 68.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -120.08 105.26 10.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -29.88 62.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.19 -28.45 69.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.173 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 102' ' ' LEU . 6.2 mt -65.17 -29.75 70.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.581 HD21 HG23 ' A' ' 68' ' ' ILE . 14.3 mt -58.19 -31.21 67.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.82 -34.23 21.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 46.0 mtt-85 -92.49 82.89 4.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.1 mtp180 -69.57 -31.32 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -46.97 78.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.444 HD11 ' HB1' ' A' ' 99' ' ' ALA . 12.4 tp -66.96 -42.27 85.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.425 ' HD1' HD13 ' A' ' 74' ' ' ILE . 60.9 t80 -64.6 -30.05 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.42 -47.41 56.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.243 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 mt -70.98 -45.18 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.051 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -60.12 -29.57 68.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.264 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -79.2 -30.0 43.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -69.01 -30.6 69.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.969 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.823 ' O ' HG23 ' A' ' 127' ' ' VAL . 25.7 mt -77.92 -30.66 16.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.297 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.483 ' HA ' HG22 ' A' ' 94' ' ' THR . 47.6 p -69.32 -29.76 67.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.039 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 3.6 mtt-85 -80.39 -30.58 37.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.0 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.36 -34.89 65.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.958 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 123' ' ' ILE . 26.9 t -70.28 -48.29 61.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.8 p -57.69 -30.08 65.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -75.76 -50.83 14.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.53 -68.11 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.1 t80 62.28 44.52 7.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 73.7 p -70.49 168.73 15.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.05 -75.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.02 -179.93 4.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -91.85 -47.38 7.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.8 t -161.13 106.0 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 41.8 t -144.36 90.64 2.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 88.34 161.74 37.45 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.469 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 110.03 2.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.59 2.193 . . . . 0.0 112.252 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 m -120.36 -46.45 2.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.37 31.36 20.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.527 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.18 -46.27 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.354 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 m -110.89 -63.78 1.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.99 -33.91 1.45 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.11 107.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 m -146.01 -54.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.17 115.48 1.94 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.04 174.16 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 97' ' ' GLU . . . -63.58 -52.23 61.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.65 HD21 ' HA ' ' A' ' 94' ' ' THR . 83.5 mt -68.74 -177.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.9 -176.29 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.56 -30.68 63.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.07 -30.97 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB2' ' OH ' ' A' ' 131' ' ' TYR . . . -76.68 -30.69 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.17 -31.08 25.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.27 -31.25 70.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 t -75.04 -43.61 52.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.993 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.757 HG11 ' HA ' ' A' ' 98' ' ' ALA . 21.5 t -69.12 -31.63 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.174 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.45 -30.67 64.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -87.07 -31.18 20.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.7 m -77.42 -41.02 41.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG22 ' HD2' ' A' ' 105' ' ' LYS . 12.4 p -58.7 -31.72 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -86.77 -20.59 27.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -27.53 23.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.062 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.651 ' CE ' HD11 ' A' ' 123' ' ' ILE . 23.2 ptp -87.94 -27.02 22.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.152 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.12 -53.06 67.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 48.9 Cg_exo -55.7 -42.67 65.18 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.45 2.1 . . . . 0.0 112.275 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.6 p -72.78 -31.44 64.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.8 mt -58.52 156.04 25.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.26 169.93 17.15 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.625 2.217 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -102.17 137.77 40.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -122.55 133.41 54.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -84.83 120.91 26.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 34' ' ' LEU . 11.5 mt -60.85 -30.68 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.59 -46.02 87.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.985 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.84 -58.46 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.94 -31.47 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -62.21 -31.58 72.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.993 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -76.43 -30.98 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.4 mt -71.97 -38.74 69.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.83 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -66.58 -26.34 67.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.999 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -80.3 -32.69 38.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -100.27 164.99 11.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.55 -50.59 2.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -41.5 91.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -73.24 -34.57 65.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.45 -33.45 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.25 -28.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.2 ttt -67.98 -67.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 110' ' ' LEU . 12.9 pt -121.98 -3.3 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.68 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.86 -27.68 67.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.594 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -79.07 -29.34 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.949 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.2 mt -67.78 -30.73 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -64.85 -40.25 94.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -68.46 -30.63 69.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.54 148.55 32.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -75.33 168.34 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -79.76 -30.53 40.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.43 47.55 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -120.59 102.35 45.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.05 -26.78 10.97 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.516 2.144 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -73.79 -26.79 60.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -56.55 -50.63 71.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -31.63 71.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.65 -32.62 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.85 -42.31 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -68.01 -34.17 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -61.05 -36.03 78.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -60.35 -50.3 74.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -70.47 -29.3 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.4 m -69.88 69.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.672 ' HB1' ' O ' ' A' ' 76' ' ' GLY . . . -159.58 114.71 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.722 HD13 ' HD1' ' A' ' 117' ' ' PHE . 20.4 mt -115.05 -37.29 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.107 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CE1' HG11 ' A' ' 95' ' ' VAL . 7.3 m-85 -97.14 -50.68 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.672 ' O ' ' HB1' ' A' ' 73' ' ' ALA . . . -102.72 152.37 18.22 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -170.78 1.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -107.83 -32.23 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.964 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -117.82 139.75 50.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.1 m -81.26 140.8 34.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.09 128.3 55.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 65.5 -76.81 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -155.88 116.2 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -129.12 157.47 41.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.93 -37.15 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.24 118.76 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.853 0.359 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -59.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.683 HD13 ' CD2' ' A' ' 93' ' ' LEU . 3.1 mt -80.69 173.92 12.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.424 HG23 ' N ' ' A' ' 90' ' ' LEU . 5.8 t -143.44 -48.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' N ' HG23 ' A' ' 89' ' ' THR . 6.2 tp -177.56 -61.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.668 ' O ' HG23 ' A' ' 95' ' ' VAL . 58.6 t-80 -62.44 -41.74 98.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.8 -30.78 71.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.683 ' CD2' HD13 ' A' ' 88' ' ' LEU . 7.0 mt -78.05 -34.51 50.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.65 ' HA ' HD21 ' A' ' 10' ' ' LEU . 10.2 m -68.62 -16.1 63.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.405 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 91' ' ' HIS . 21.1 t -81.54 -48.47 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.739 0.305 . . . . 0.0 111.408 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -74.97 -30.52 61.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.233 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mm-40 -79.68 -31.38 41.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.995 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HA ' HG11 ' A' ' 18' ' ' VAL . . . -67.61 -42.37 82.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -74.44 -26.57 60.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -56.05 -58.45 7.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -59.73 -36.19 76.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.44 HD21 ' SD ' ' A' ' 25' ' ' MET . 6.9 mt -61.18 -47.09 87.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.33 -37.42 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 100' ' ' ALA . 21.5 t -63.94 -49.83 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.479 ' HD2' HG22 ' A' ' 22' ' ' VAL . 11.3 mttm -66.77 -31.64 72.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -132.93 104.88 6.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.75 -29.3 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.014 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.73 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.288 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.43 HD21 ' HG2' ' A' ' 115' ' ' GLU . 5.6 mt -64.71 -29.05 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.032 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 51' ' ' ILE . 4.3 mt -55.18 -30.37 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 45.8 p -85.14 -37.35 20.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.17 121.72 27.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -96.3 -48.08 5.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.46 -33.98 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.43 ' HG2' HD21 ' A' ' 109' ' ' LEU . 4.5 tt0 -76.21 -35.41 59.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.65 HD11 ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp -72.41 -53.49 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.722 ' HD1' HD13 ' A' ' 74' ' ' ILE . 38.7 t80 -59.94 -30.32 68.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.6 -51.51 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 61.9 mt -59.29 -47.96 83.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.03 -29.88 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.61 -30.67 52.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.938 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -62.51 -56.07 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.67 ' O ' HG23 ' A' ' 127' ' ' VAL . 4.5 mt -63.73 -30.1 49.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.181 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -30.19 68.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -31.56 29.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.991 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -70.84 -31.32 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 123' ' ' ILE . 25.2 t -76.12 -30.09 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.7 -33.53 68.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -68.68 -54.48 16.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.25 117.94 34.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.935 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . 0.452 ' OH ' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -162.82 109.68 1.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 70.8 p -125.65 127.92 47.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -104.47 -40.24 6.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -139.54 169.48 17.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.448 HG23 ' H ' ' A' ' 136' ' ' THR . 1.0 OUTLIER -143.56 -54.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.448 ' H ' HG23 ' A' ' 135' ' ' THR . 0.2 OUTLIER 55.58 51.47 12.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.028 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 30.2 t -67.44 -75.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.01 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.77 163.36 4.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.23 95.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.531 2.154 . . . . 0.0 112.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.7 m -92.68 134.93 34.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 82.4 p -98.59 33.19 2.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.439 -1.201 . . . . 0.0 112.51 -179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -61.66 161.68 9.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -84.1 -178.14 6.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.24 -45.72 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -100.69 110.29 22.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 p -135.75 -47.16 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.22 127.8 1.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.546 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.83 -176.55 5.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.74 -169.86 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.087 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD12 ' OE2' ' A' ' 97' ' ' GLU . 9.7 mt -62.47 162.79 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.99 -179.39 7.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.95 -32.67 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.14 -32.85 24.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.88 -58.83 6.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -27.22 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.62 -38.64 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.004 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.81 -29.49 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.564 HG13 HG21 ' A' ' 123' ' ' ILE . 21.7 t -76.34 -50.07 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.176 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.64 -29.29 66.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -79.16 -31.01 43.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -76.91 -47.33 21.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.667 HG23 ' HG ' ' A' ' 102' ' ' LEU . 11.0 p -58.9 -29.06 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.131 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.01 -21.38 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.148 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.828 ' O ' HG23 ' A' ' 28' ' ' THR . 1.8 mmp_? -85.78 -50.05 7.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.955 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.405 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.0 ptp -69.66 -23.46 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -56.77 -60.9 8.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.475 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 35.6 Cg_endo -65.3 -32.77 50.37 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.581 2.188 . . . . 0.0 112.623 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 24' ' ' ARG . 11.8 p -70.9 -29.58 65.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.767 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.5 mt -77.51 159.15 77.79 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.51 152.62 70.62 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.559 2.172 . . . . 0.0 112.304 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 140.86 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.25 179.93 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -120.63 136.82 54.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 mt -64.07 -32.55 74.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -64.71 -32.75 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.88 -40.94 83.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.9 m -82.47 -34.1 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.5 mttp -62.49 -46.31 89.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -30.8 70.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.1 mt -69.51 -31.62 69.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 70.3 mt -69.82 -39.67 76.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 -29.6 69.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 t -90.88 -33.62 15.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -89.81 -173.3 3.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -137.21 -60.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -59.24 -42.23 90.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 44' ' ' ASN . 71.7 mt -60.31 -29.9 69.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.982 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -93.93 -27.84 16.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.62 -27.26 55.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.986 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 ttt -84.19 -67.01 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.93 HD13 ' HB3' ' A' ' 110' ' ' LEU . 1.8 pt -126.11 45.07 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.27 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -94.45 -30.07 8.93 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.457 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -67.55 -30.48 70.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.77 -32.55 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -71.57 -35.25 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -81.93 -30.79 31.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.23 -179.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -84.05 158.52 21.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -88.59 -31.11 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -97.4 56.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.07 146.08 59.27 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -70.94 -33.38 12.22 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.611 2.208 . . . . 0.0 112.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -66.42 -26.93 67.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -56.3 22.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.01 -31.48 71.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -74.05 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.988 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.53 -49.03 75.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.912 HG23 HD21 ' A' ' 110' ' ' LEU . 7.7 mt -63.78 -40.41 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 29.5 mtp85 -62.68 -30.33 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -67.26 -54.66 18.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.98 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -69.89 -26.91 64.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.3 m -59.9 86.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.24 122.55 3.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 74' ' ' ILE . 3.7 mt -126.47 18.56 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.354 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HE2' HG11 ' A' ' 95' ' ' VAL . 12.3 m-85 -143.25 93.71 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 111.014 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.92 -164.05 7.92 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.62 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.9 mtt-85 -93.78 -176.47 4.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -113.47 -35.74 5.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -118.3 170.63 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.2 m -143.09 -172.81 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 -69.19 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -106.1 -75.65 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.01 162.56 15.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.06 122.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -132.47 68.52 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt 63.37 141.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.814 0.34 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.92 30.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.628 HD23 ' HB3' ' A' ' 92' ' ' GLU . 1.2 mt -88.02 121.97 31.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.6 t -81.56 -169.84 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.58 -58.59 7.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.587 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -59.24 -29.28 67.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.06 -179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.628 ' HB3' HD23 ' A' ' 88' ' ' LEU . 10.8 mt-10 -70.95 -46.37 62.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.941 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.15 -29.61 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.7 m -72.51 -43.92 62.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 91' ' ' HIS . 27.2 t -65.83 -36.71 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.48 -32.43 68.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' OE2' HD12 ' A' ' 10' ' ' LEU . 2.4 tt0 -100.05 -28.7 12.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.566 ' HB3' ' HB1' ' A' ' 120' ' ' ALA . . . -57.98 -36.99 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.244 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.571 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -94.74 17.39 13.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.37 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -100.14 -38.79 8.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -76.04 -34.22 59.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.667 ' HG ' HG23 ' A' ' 22' ' ' VAL . 7.1 mt -65.87 -30.72 71.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 97.0 m -73.46 -31.33 63.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' ALA . 22.5 t -61.31 -62.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.0 mmtt -59.18 -49.71 76.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 109' ' ' LEU . 74.0 m-20 -111.12 106.4 15.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -70.23 -30.06 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.6 -30.55 68.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.017 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.654 HD13 ' HB3' ' A' ' 102' ' ' LEU . 3.4 mt -59.35 -26.86 65.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.93 ' HB3' HD13 ' A' ' 51' ' ' ILE . 22.0 mt -57.87 -34.25 69.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.063 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -81.62 -31.44 32.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.35 93.15 9.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.0 -28.69 49.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.988 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.32 -37.6 63.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -77.41 -41.35 40.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.571 HD21 ' HB1' ' A' ' 99' ' ' ALA . 19.0 tp -66.26 -44.48 83.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.511 ' CD1' HG21 ' A' ' 74' ' ' ILE . 71.3 t80 -66.14 -30.64 71.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.16 -30.67 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.29 -41.29 20.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 98' ' ' ALA . . . -60.6 -41.46 94.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -62.19 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -30.0 71.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.564 HG21 HG13 ' A' ' 18' ' ' VAL . 28.0 mt -89.07 -28.28 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.3 t -57.68 -33.41 68.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -80.23 -30.12 38.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -69.05 -30.36 68.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.964 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.4 t -81.27 -45.34 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.127 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.3 m -57.96 -28.17 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -57.85 -66.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.89 115.21 29.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.935 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -127.39 -66.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.793 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.86 153.48 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -85.92 -31.2 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.5 174.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 -53.69 3.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.7 t -171.23 -172.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.9 -60.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 84.12 145.84 7.05 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -73.85 -175.54 2.16 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.539 2.16 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.9 p -89.05 165.43 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.57 86.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.376 -1.235 . . . . 0.0 112.554 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.1 p -73.81 -177.08 2.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.64 158.17 15.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 85.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.48 89.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -117.58 171.2 8.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.79 -93.36 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.581 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.84 -175.42 5.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.972 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.889 ' HB1' HD13 ' A' ' 93' ' ' LEU . . . -102.3 -69.49 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 94' ' ' THR . 97.0 mt -70.77 -178.69 1.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.29 169.78 8.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.006 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.02 -42.99 93.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.166 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.47 63.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -78.71 -36.84 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.117 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.96 64.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.72 -45.16 95.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 t -60.06 -33.65 72.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HG21 ' A' ' 123' ' ' ILE . 21.5 t -66.19 -30.23 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.21 -29.39 24.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -81.6 -30.91 32.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -78.8 -44.25 23.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.969 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.446 HG23 HD23 ' A' ' 102' ' ' LEU . 12.0 p -58.3 -31.25 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.174 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -80.42 -25.66 38.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.19 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -32.94 25.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.999 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.434 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.3 ptp -87.18 -23.43 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.25 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.749 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -53.72 -53.22 59.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.28 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.749 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 59.6 Cg_exo -51.67 -45.97 34.77 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.577 2.184 . . . . 0.0 112.309 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.6 p -69.72 -32.56 71.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 119' ' ' LEU . 19.2 mt -63.72 148.1 94.89 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.43 160.61 4.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.496 2.131 . . . . 0.0 112.228 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.06 107.32 15.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 m -109.55 125.94 53.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -74.91 154.77 38.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.0 -28.67 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -58.87 -32.11 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -70.33 -58.02 4.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.561 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 m -59.26 -30.0 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.58 -31.06 71.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -85.91 -29.67 23.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 37' ' ' VAL . 1.3 mt -59.58 -28.13 66.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -70.71 -33.53 70.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -29.09 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 40' ' ' LEU . 9.4 t -89.15 -31.06 18.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -101.86 -174.33 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.97 -48.04 0.55 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.963 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -31.59 70.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.7 mt -77.12 -36.39 55.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.619 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -76.17 -29.22 57.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -84.45 -26.78 27.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 ttt -82.59 -65.96 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.622 HD13 ' HB3' ' A' ' 110' ' ' LEU . 22.6 pt -127.48 41.14 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.85 -28.35 26.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -74.53 -31.37 62.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.19 -31.5 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CD2' HD21 ' A' ' 41' ' ' LEU . 2.4 m-85 -60.06 -46.83 88.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -78.74 -24.4 44.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.98 156.29 3.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -89.78 175.38 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.62 -36.1 20.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -59.7 -27.37 66.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -56.98 119.22 28.95 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.947 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -71.46 -29.79 16.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.445 2.097 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -63.51 -24.15 67.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HE2' HD11 ' A' ' 68' ' ' ILE . 1.0 OUTLIER -54.93 -43.73 73.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.054 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.65 -30.07 68.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -77.23 -37.13 53.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.68 -41.77 64.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.586 HD11 ' HE2' ' A' ' 64' ' ' LYS . 8.5 mt -64.94 -51.35 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.5 mtt180 -60.2 -34.17 73.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -67.7 -43.25 80.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -78.24 -19.65 53.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.222 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -95.88 39.34 1.14 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.771 0.32 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.02 71.77 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.008 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.402 HG23 HH12 ' A' ' 113' ' ' ARG . 21.3 mt -78.1 -40.58 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.514 ' CE1' HG11 ' A' ' 95' ' ' VAL . 34.7 m-85 -99.75 -42.2 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.39 -143.89 3.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.55 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.436 ' HG2' ' CD1' ' A' ' 78' ' ' PHE . 14.7 ttt180 -156.25 170.2 22.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.436 ' CD1' ' HG2' ' A' ' 77' ' ' ARG . 45.7 p90 -56.97 -30.97 64.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -76.04 107.85 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.7 p -122.92 31.74 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -96.49 -33.99 11.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -148.18 128.88 14.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.61 109.26 14.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.9 -49.65 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 166.23 65.82 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.589 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.35 -31.71 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.364 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.68 -50.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.733 HD22 HD23 ' A' ' 93' ' ' LEU . 1.9 mt -76.53 164.61 25.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.708 HG22 ' OE1' ' A' ' 92' ' ' GLU . 2.0 t -157.28 -50.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.97 -72.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.008 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -64.71 -30.8 71.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.01 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.708 ' OE1' HG22 ' A' ' 89' ' ' THR . 1.2 mp0 -68.44 -29.99 68.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.889 HD13 ' HB1' ' A' ' 9' ' ' ALA . 50.9 mt -72.34 -37.48 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.718 ' HA ' HD11 ' A' ' 10' ' ' LEU . 23.7 m -61.96 -29.48 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.514 HG11 ' CE1' ' A' ' 75' ' ' TYR . 27.5 t -86.16 -42.18 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.299 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -59.87 -34.54 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -30.2 23.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.99 -45.0 64.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.321 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -59.74 -29.46 68.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.22 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.7 ' O ' HG23 ' A' ' 104' ' ' VAL . . . -71.01 -47.43 58.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.253 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -59.57 -30.05 68.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.983 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.575 ' O ' HD12 ' A' ' 109' ' ' LEU . 5.5 mt -81.33 -32.08 33.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.96 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -35.23 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 100' ' ' ALA . 31.1 t -63.38 -51.65 68.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -59.41 -31.67 69.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.573 ' OD1' ' HB3' ' A' ' 108' ' ' ALA . 8.7 t70 -135.71 109.88 8.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.32 -27.6 67.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.099 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.573 ' HB3' ' OD1' ' A' ' 106' ' ' ASP . . . -62.17 -27.7 69.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.254 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 116' ' ' LEU . 9.0 mt -58.24 -27.18 63.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.184 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.622 ' HB3' HD13 ' A' ' 51' ' ' ILE . 10.0 mt -56.74 -38.17 72.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.473 HG23 HD11 ' A' ' 51' ' ' ILE . 6.4 p -79.16 -31.01 43.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.798 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -84.65 123.13 30.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.402 HH12 HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -100.06 -57.19 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.29 -29.44 65.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -74.13 -56.87 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.04 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.577 HD13 HD13 ' A' ' 109' ' ' LEU . 29.8 tp -58.43 -29.19 65.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -72.72 -26.85 61.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.0 -17.07 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.599 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.68 HD21 HD21 ' A' ' 29' ' ' LEU . 66.4 mt -89.35 -60.25 2.0 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.822 0.344 . . . . 0.0 111.172 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.97 -25.79 32.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.562 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -79.69 -27.15 40.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.278 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -64.42 -34.19 77.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.188 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 127' ' ' VAL . 27.1 mt -82.19 -30.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.362 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -26.18 67.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -80.49 -30.45 37.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.141 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -83.85 -40.55 18.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.119 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 123' ' ' ILE . 24.5 t -63.0 -28.65 45.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.288 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.95 -39.4 56.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.66 -69.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -74.5 105.07 5.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.91 -46.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.48 HG22 ' H ' ' A' ' 133' ' ' TYR . 0.2 OUTLIER -100.81 -176.67 3.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.48 ' H ' HG22 ' A' ' 132' ' ' THR . 7.2 m-85 -140.97 30.66 1.81 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -112.72 -34.47 5.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.937 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 2.1 t -93.81 -39.43 10.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.25 91.91 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.09 -69.08 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -126.47 -150.68 7.64 Favored Glycine 0 CA--C 1.517 0.211 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.527 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.74 -168.3 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 29.5 m -98.54 144.6 27.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.962 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.97 31.45 3.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.829 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.345 -1.253 . . . . 0.0 112.5 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 p -164.33 128.02 2.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -150.39 151.11 32.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.8 -39.95 1.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.546 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -127.19 35.93 4.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m 60.75 176.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.4 75.93 0.84 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.55 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -133.5 166.31 22.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 60.58 167.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.5 -173.94 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -100.37 -173.23 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.49 -52.86 19.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.99 -38.85 83.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.46 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -62.93 -43.67 98.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.65 -42.44 77.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.12 -31.18 72.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -66.41 -31.29 71.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 14' ' ' ALA . 25.7 t -74.98 -34.38 32.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.711 ' HB2' HE22 ' A' ' 101' ' ' GLN . . . -74.11 -30.9 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.81 -30.73 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 m -79.94 -48.07 14.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.586 HG23 ' CD2' ' A' ' 102' ' ' LEU . 11.0 p -56.11 -42.11 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.232 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' N ' HG13 ' A' ' 22' ' ' VAL . 4.1 mm-40 -65.7 -17.74 64.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -91.65 -32.07 15.61 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.734 0.302 . . . . 0.0 111.143 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.487 ' SD ' HD21 ' A' ' 102' ' ' LEU . 14.5 ptp -89.64 -28.54 19.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 27' ' ' PRO . . . -57.31 -52.52 73.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.218 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.762 ' HD3' ' HB3' ' A' ' 26' ' ' ALA . 45.0 Cg_exo -56.5 -30.93 84.4 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.489 2.126 . . . . 0.0 112.216 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.4 p -85.11 -28.3 25.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 26' ' ' ALA . 10.6 mt -56.32 120.87 38.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.12 -178.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.458 2.105 . . . . 0.0 112.274 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -102.34 152.49 21.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.19 167.61 11.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -102.74 106.35 16.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.7 mt -62.19 -28.99 70.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.967 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.47 -30.52 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.06 -61.38 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.619 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 m -59.39 -28.77 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.192 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -61.48 -48.33 81.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -69.98 -29.42 66.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 37' ' ' VAL . 8.5 mt -59.7 -29.93 68.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.997 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' HB3' ' HB2' ' A' ' 48' ' ' ALA . 35.6 mt -68.12 -44.82 75.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.965 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -28.14 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 43.4 p -88.63 -33.97 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.035 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -114.65 103.1 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 -33.13 74.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 56.0 mttt -65.06 -52.47 55.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -34.18 74.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 41' ' ' LEU . . . -71.84 -29.66 64.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -29.63 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.402 ' O ' ' CZ ' ' A' ' 71' ' ' TYR . 1.5 ttp -77.69 -69.11 0.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 pt -122.01 41.24 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.175 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -104.93 -38.52 2.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -64.81 -28.19 69.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.324 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 30.8 mt -68.95 -31.12 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -58.95 -57.06 14.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.5 -27.09 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.71 154.27 9.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -73.19 165.34 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -94.39 -30.29 14.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.79 50.02 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.47 141.9 42.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.81 -40.17 2.9 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.52 2.147 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.75 -28.8 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.012 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.853 ' HE2' HD11 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -58.1 -37.11 73.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -43.22 94.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -69.99 -31.06 68.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -70.26 -46.26 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.853 HD11 ' HE2' ' A' ' 64' ' ' LYS . 9.5 mt -72.68 -33.33 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -65.64 -30.97 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -74.3 -37.69 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' CZ ' ' O ' ' A' ' 50' ' ' MET . 56.2 m-85 -86.0 -29.0 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 87.0 p -67.68 74.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.833 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.34 101.29 3.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.768 HD11 HD23 ' A' ' 116' ' ' LEU . 12.9 mt -102.38 16.83 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.387 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.864 ' CE1' HG11 ' A' ' 95' ' ' VAL . 23.0 m-85 -147.62 115.4 6.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.71 164.73 40.29 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.61 -178.96 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -125.5 32.46 5.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.16 170.0 8.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 m -93.68 126.49 38.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -99.06 -33.24 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 21.7 mtt180 -148.98 -53.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -135.25 -67.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.68 154.09 39.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -142.71 33.72 1.84 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 79.6 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.824 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -121.57 44.16 2.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.02 112.49 8.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.802 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.3 p -71.62 -170.17 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.9 -31.85 66.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 0.4 OUTLIER -84.87 -40.62 16.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 68.9 mt-10 -62.45 -31.27 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -39.48 93.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 98' ' ' ALA . 29.8 m -73.72 -35.21 65.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.864 HG11 ' CE1' ' A' ' 75' ' ' TYR . 26.2 t -59.63 -38.59 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -62.4 -60.12 4.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -68.31 -24.78 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 94' ' ' THR . . . -58.57 -48.05 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.22 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 120' ' ' ALA . . . -99.97 35.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.55 -41.78 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.026 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.711 HE22 ' HB2' ' A' ' 19' ' ' ALA . 23.8 mt-30 -81.58 -31.33 32.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.586 ' CD2' HG23 ' A' ' 22' ' ' VAL . 11.5 mt -59.73 -32.58 70.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 1.5 m -74.29 -33.21 63.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.638 ' HA ' HD13 ' A' ' 68' ' ' ILE . 21.7 t -61.62 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -33.76 71.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.407 ' HB2' HD12 ' A' ' 109' ' ' LEU . 10.7 m-20 -126.08 101.65 6.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.68 -29.43 69.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -64.8 -30.36 71.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 106' ' ' ASP . 6.6 mt -60.06 -26.54 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.045 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 68' ' ' ILE . 8.6 mt -55.16 -38.83 68.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.865 0.364 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 7.5 p -79.48 -31.54 42.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.57 102.69 5.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.791 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -87.68 -25.45 23.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -84.89 -32.94 22.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.105 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -76.32 -37.23 57.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.99 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.768 HD23 HD11 ' A' ' 74' ' ' ILE . 19.8 tp -73.93 -29.84 62.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.031 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -67.38 -44.06 79.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.01 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.34 -50.66 64.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.173 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 20.6 mt -62.97 -38.56 91.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.97 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.605 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . . . -59.38 -56.84 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.273 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 0.6 OUTLIER -60.58 -29.15 69.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -50.44 73.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.043 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 127' ' ' VAL . 21.1 mt -77.81 -30.71 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.5 t -56.46 -54.23 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.4 mtt-85 -60.23 -29.74 68.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.58 -52.77 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.028 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 123' ' ' ILE . 21.7 t -58.3 -36.24 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.273 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.2 m -76.76 -46.96 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -65.94 -67.69 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.52 143.41 28.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.63 -172.32 4.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.1 p -69.45 164.22 23.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -95.92 83.22 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -69.46 -176.56 1.0 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.1 p -95.77 -67.65 0.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.0 p -71.19 159.6 34.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.4 t -169.23 113.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.64 177.53 18.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.57 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.14 121.87 9.62 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.623 2.215 . . . . 0.0 112.318 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 12.8 t -142.6 34.53 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.3 m -96.79 -49.54 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.529 -179.973 . . . . . . . . 0 0 . 1 stop_ save_